N-BENZYL-6-((4-HYDROXYPHENYL)METHYL)-8-((NAPHTHALEN-1-YL)METHYL)-4,7-DIOXO-OCTAHYDRO-1H-PYRAZINO(1,2-A)PYRIMIDINE-1-CARBOXAMIDE, (6R,9AR)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C33H32N4O4
Molecular Weight	548.6316
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-BENZYL-6-((4-HYDROXYPHENYL)METHYL)-8-((NAPHTHALEN-1-YL)METHYL)-4,7-DIOXO-OCTAHYDRO-1H-PYRAZINO(1,2-A)PYRIMIDINE-1-CARBOXAMIDE, (6R,9AR)-

Structure Search

SMILES

[H][C@@]12CN(CC3=C4C=CC=CC4=CC=C3)C(=O)[C@@H](CC5=CC=C(O)C=C5)N1C(=O)CCN2C(=O)NCC6=CC=CC=C6

InChI

InChIKey=HQWTUOLCGKIECB-IHLOFXLRSA-N

InChI=1S/C33H32N4O4/c38-27-15-13-23(14-16-27)19-29-32(40)35(21-26-11-6-10-25-9-4-5-12-28(25)26)22-30-36(18-17-31(39)37(29)30)33(41)34-20-24-7-2-1-3-8-24/h1-16,29-30,38H,17-22H2,(H,34,41)/t29-,30+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H32N4O4
Molecular Weight	548.6316
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:43:26 GMT 2023` Edited by `admin` on `Sat Dec 16 09:43:26 GMT 2023`
Record UNII	96C8Q7U2B3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-BENZYL-6-((4-HYDROXYPHENYL)METHYL)-8-((NAPHTHALEN-1-YL)METHYL)-4,7-DIOXO-OCTAHYDRO-1H-PYRAZINO(1,2-A)PYRIMIDINE-1-CARBOXAMIDE, (6R,9AR)-

Systematic Name

English

2H-PYRAZINO(1,2-A)PYRIMIDINE-1(6H)-CARBOXAMIDE, HEXAHYDRO-6-((4-HYDROXYPHENYL)METHYL)-8-(1-NAPHTHALENYLMETHYL)-4,7-DIOXO-N-(PHENYLMETHYL)-, (6R,9AR)-REL-

Systematic Name

English

(6R,9AR)-N-BENZYL-6-((4-HYDROXYPHENYL)METHYL)-8-((NAPHTHALEN-1-YL)METHYL)-4,7-DIOXO-OCTAHYDRO-1H-PYRAZINO(1,2-A)PYRIMIDINE-1-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

73357429

Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023

PRIMARY

CAS

2514734-77-9

Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023

PRIMARY

FDA UNII

96C8Q7U2B3

Created by admin on Sat Dec 16 09:43:26 GMT 2023 , Edited by admin on Sat Dec 16 09:43:26 GMT 2023

PRIMARY

Related Record Type Details


					96C8Q7U2B3

N-BENZYL-6-((4-HYDROXYPHENYL)METHYL)-8-((NAPHTHALEN-1-YL)METHYL)-4,7-DIOXO-OCTAHYDRO-1H-PYRAZINO(1,2-A)PYRIMIDINE-1-CARBOXAMIDE, (6R,9AR)-

ACTIVE MOIETY