8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-2-[(4-methyl-2-quinazolinyl)methoxy]-6H-purin-6-one

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28N8O2
Molecular Weight	472.5422
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-2-[(4-methyl-2-quinazolinyl)methoxy]-6H-purin-6-one

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N=C(OCC3=NC(C)=C4C=CC=CC4=N3)N2C)N5CCC[C@@H](N)C5

InChI

InChIKey=WVNWHFHJDXLANG-QGZVFWFLSA-N

InChI=1S/C25H28N8O2/c1-4-5-13-33-21-22(29-24(33)32-12-8-9-17(26)14-32)31(3)25(30-23(21)34)35-15-20-27-16(2)18-10-6-7-11-19(18)28-20/h6-7,10-11,17H,8-9,12-15,26H2,1-3H3/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H28N8O2
Molecular Weight	472.5422
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 18:14:01 GMT 2025` Edited by `admin` on `Wed Apr 02 18:14:01 GMT 2025`
Record UNII	A6MBY7V73N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6H-Purin-6-one, 8-[(3R)-3-amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-2-[(4-methyl-2-quinazolinyl)methoxy]-

Preferred Name

English

8-[(3R)-3-Amino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-2-[(4-methyl-2-quinazolinyl)methoxy]-6H-purin-6-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

169432390

Created by admin on Wed Apr 02 18:14:01 GMT 2025 , Edited by admin on Wed Apr 02 18:14:01 GMT 2025

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CAS

2446799-72-8

Created by admin on Wed Apr 02 18:14:01 GMT 2025 , Edited by admin on Wed Apr 02 18:14:01 GMT 2025

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FDA UNII

A6MBY7V73N

Created by admin on Wed Apr 02 18:14:01 GMT 2025 , Edited by admin on Wed Apr 02 18:14:01 GMT 2025

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