5-methyl-3-(2-methylpropyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 5-methyl-3-(2-methylpropyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-isobutyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-methylpropyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-methylpropyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-isobutyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C19H20N6OS MolecularWeight: 380.4667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)CC(C)C)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)CC(C)C)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C19H20N6OS/c1-11(2)7-25-14(24-13-6-4-5-12(3)15(13)19(25)26)8-27-18-16-17(21-9-20-16)22-10-23-18/h4-6,9-11H,7-8H2,1-3H3,(H,20,21,22,23)