N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzamide

Systemtic Name: N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzamide Openeye Name: N-[4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]benzamide CAS Name: N-[4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]benzamide IUPAC Name: N-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]benzamide Traditional Name: N-[4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]benzamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H19N5O3S/c1-24-16-17(25(2)21(29)26(3)19(16)28)23-20(24)30-15-11-9-14(10-12-15)22-18(27)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,22,27)