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

Systemtic Name: 5-methyl-3-phenethyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 5-methyl-3-phenethyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 5-methyl-3-phenethyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 5-methyl-3-phenethyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 5-methyl-3-phenethyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C23H20N6OS MolecularWeight: 428.5095

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(N(C2=O)CCC3=CC=CC=C3)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(N(C2=O)CCC3=CC=CC=C3)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C23H20N6OS/c1-15-6-5-9-17-19(15)23(30)29(11-10-16-7-3-2-4-8-16)18(28-17)12-31-22-20-21(25-13-24-20)26-14-27-22/h2-9,13-14H,10-12H2,1H3,(H,24,25,26,27)