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

Systemtic Name: 2-[(2-azanyl-7H-purin-6-yl)sulfanylmethyl]-3-cyclopropyl-5-methyl-quinazolin-4-one Openeye Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-3-cyclopropyl-5-methyl-quinazolin-4-one CAS Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-3-cyclopropyl-5-methyl-4-quinazolinone IUPAC Name: 2-[(2-amino-7H-purin-6-yl)sulfanylmethyl]-3-cyclopropyl-5-methylquinazolin-4-one Traditional Name: 2-[[(2-amino-7H-purin-6-yl)thio]methyl]-3-cyclopropyl-5-methyl-quinazolin-4-one Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CC3)CSC4=NC(=NC5=C4NC=N5)N

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CC3)CSC4=NC(=NC5=C4NC=N5)N

InChI

InChI=1S/C18H17N7OS/c1-9-3-2-4-11-13(9)17(26)25(10-5-6-10)12(22-11)7-27-16-14-15(21-8-20-14)23-18(19)24-16/h2-4,8,10H,5-7H2,1H3,(H3,19,20,21,23,24)