3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one

Systemtic Name: 3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Openeye Name: 3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one CAS Name: 3-phenyl-2-[(7H-purin-6-ylthio)methyl]-4-quinazolinone IUPAC Name: 3-phenyl-2-(7H-purin-6-ylsulfanylmethyl)quinazolin-4-one Traditional Name: 3-phenyl-2-[(7H-purin-6-ylthio)methyl]quinazolin-4-one Formula: C20H14N6OS MolecularWeight: 386.42976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H14N6OS/c27-20-14-8-4-5-9-15(14)25-16(26(20)13-6-2-1-3-7-13)10-28-19-17-18(22-11-21-17)23-12-24-19/h1-9,11-12H,10H2,(H,21,22,23,24)