1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3(R)-4-methylphthalimidopiperidine-yl)-xanthine

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H32N8O4
Molecular Weight	616.6691
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3(R)-4-methylphthalimidopiperidine-yl)-xanthine

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=C(C=CC=C4)C(C)=N3)C(=O)N2C)N5CCC[C@H](C5)N6C(=O)C7=CC=C(C)C=C7C6=O

InChI

InChIKey=AGWYFWXRPWKTBR-JOCHJYFZSA-N

InChI=1S/C34H32N8O4/c1-5-6-16-40-28-29(38(4)34(46)41(32(28)45)19-27-35-21(3)23-11-7-8-12-26(23)36-27)37-33(40)39-15-9-10-22(18-39)42-30(43)24-14-13-20(2)17-25(24)31(42)44/h7-8,11-14,17,22H,9-10,15-16,18-19H2,1-4H3/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C34H32N8O4
Molecular Weight	616.6691
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 16:03:13 GMT 2025` Edited by `admin` on `Wed Apr 02 16:03:13 GMT 2025`
Record UNII	5X77FB3MA5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3(R)-4-methylphthalimidopiperidine-yl)-xanthine

Common Name

English

1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-

Preferred Name

English

7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione

Systematic Name

English

Code System Code Type Description

FDA UNII

5X77FB3MA5

Created by admin on Wed Apr 02 16:03:13 GMT 2025 , Edited by admin on Wed Apr 02 16:03:13 GMT 2025

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PUBCHEM

131735652

Created by admin on Wed Apr 02 16:03:13 GMT 2025 , Edited by admin on Wed Apr 02 16:03:13 GMT 2025

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CAS

1573118-33-8

Created by admin on Wed Apr 02 16:03:13 GMT 2025 , Edited by admin on Wed Apr 02 16:03:13 GMT 2025

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