N-(2-Acetylphenyl)-8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purine-1-acetamide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H29N7O4
Molecular Weight	491.5423
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(2-Acetylphenyl)-8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purine-1-acetamide

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC(=O)NC3=CC=CC=C3C(C)=O)C(=O)N2C)N4CCC[C@@H](N)C4

InChI

InChIKey=PSXRDXBDFFLJLR-QGZVFWFLSA-N

InChI=1S/C25H29N7O4/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(26)14-30)29(3)25(36)32(23(21)35)15-20(34)27-19-11-7-6-10-18(19)16(2)33/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3,(H,27,34)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H29N7O4
Molecular Weight	491.5423
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:09:41 GMT 2025` Edited by `admin` on `Wed Apr 02 18:09:41 GMT 2025`
Record UNII	2TTK62KB9K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1H-Purine-1-acetamide, N-(2-acetylphenyl)-8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-

Preferred Name

English

N-(2-Acetylphenyl)-8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-2,6-dioxo-1H-purine-1-acetamide

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810723

Created by admin on Wed Apr 02 18:09:41 GMT 2025 , Edited by admin on Wed Apr 02 18:09:41 GMT 2025

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CAS

2416949-69-2

Created by admin on Wed Apr 02 18:09:41 GMT 2025 , Edited by admin on Wed Apr 02 18:09:41 GMT 2025

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FDA UNII

2TTK62KB9K

Created by admin on Wed Apr 02 18:09:41 GMT 2025 , Edited by admin on Wed Apr 02 18:09:41 GMT 2025

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