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

Systemtic Name: 5-methyl-3-(2-phenylcyclopropyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-methyl-3-(2-phenylcyclopropyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-(2-phenylcyclopropyl)-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-(2-phenylcyclopropyl)-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-methyl-3-(2-phenylcyclopropyl)-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C24H20N6OS MolecularWeight: 440.5202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CC3C4=CC=CC=C4)CSC5=NC=NC6=C5NC=N6

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)C3CC3C4=CC=CC=C4)CSC5=NC=NC6=C5NC=N6

InChI

InChI=1S/C24H20N6OS/c1-14-6-5-9-17-20(14)24(31)30(18-10-16(18)15-7-3-2-4-8-15)19(29-17)11-32-23-21-22(26-12-25-21)27-13-28-23/h2-9,12-13,16,18H,10-11H2,1H3,(H,25,26,27,28)