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

Systemtic Name: 3-cyclopropyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-cyclopropyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-cyclopropyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-cyclopropyl-5-methyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-cyclopropyl-5-methyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C18H16N6OS MolecularWeight: 364.42424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6OS/c1-10-3-2-4-12-14(10)18(25)24(11-5-6-11)13(23-12)7-26-17-15-16(20-8-19-15)21-9-22-17/h2-4,8-9,11H,5-7H2,1H3,(H,19,20,21,22)