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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

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC[C@H](C5)N6C(=O)C7=C(C=C(C)C=C7)C6=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

Approval Year

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
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
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]-
Systematic Name English
Code System Code Type Description
FDA UNII
5X77FB3MA5
Created by admin on Sat Dec 16 19:29:23 GMT 2023 , Edited by admin on Sat Dec 16 19:29:23 GMT 2023
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PUBCHEM
131735652
Created by admin on Sat Dec 16 19:29:23 GMT 2023 , Edited by admin on Sat Dec 16 19:29:23 GMT 2023
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CAS
1573118-33-8
Created by admin on Sat Dec 16 19:29:23 GMT 2023 , Edited by admin on Sat Dec 16 19:29:23 GMT 2023
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