2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-3-(cyclopropylmethyl)-5-methyl-quinazolin-4-one

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-3-(cyclopropylmethyl)-5-methyl-quinazolin-4-one Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-3-(cyclopropylmethyl)-5-methyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-3-(cyclopropylmethyl)-5-methyl-4-quinazolinone IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-3-(cyclopropylmethyl)-5-methylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-3-(cyclopropylmethyl)-5-methyl-quinazolin-4-one Formula: C19H19N7OS MolecularWeight: 393.46546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)CC3CC3)CSC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)CC3CC3)CSC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C19H19N7OS/c1-10-3-2-4-12-14(10)18(27)26(7-11-5-6-11)13(23-12)8-28-17-15-16(22-9-21-15)24-19(20)25-17/h2-4,9,11H,5-8H2,1H3,(H3,20,21,22,24,25)