2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-6-iodanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanylmethyl]-6-iodanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-6-iodo-3-phenyl-quinazolin-4-one CAS Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-6-iodo-3-phenyl-4-quinazolinone IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanylmethyl]-6-iodo-3-phenylquinazolin-4-one Traditional Name: 2-[[(6-amino-7H-purin-8-yl)thio]methyl]-6-iodo-3-phenyl-quinazolin-4-one Formula: C20H14IN7OS MolecularWeight: 527.34093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CSC4=NC5=C(N4)C(=NC=N5)N

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)I)CSC4=NC5=C(N4)C(=NC=N5)N

InChI

InChI=1S/C20H14IN7OS/c21-11-6-7-14-13(8-11)19(29)28(12-4-2-1-3-5-12)15(25-14)9-30-20-26-16-17(22)23-10-24-18(16)27-20/h1-8,10H,9H2,(H3,22,23,24,26,27)