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

Systemtic Name: N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]thiophene-2-carboxamide Openeye Name: N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]thiophene-2-carboxamide CAS Name: N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]thiophene-2-carboxamide Traditional Name: N-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]thiophene-2-carboxamide Formula: C19H17N5O3S2 MolecularWeight: 427.49998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3NC(=O)C4=CC=CS4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3NC(=O)C4=CC=CS4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H17N5O3S2/c1-22-14-15(23(2)19(27)24(3)17(14)26)21-18(22)29-12-8-5-4-7-11(12)20-16(25)13-9-6-10-28-13/h4-10H,1-3H3,(H,20,25)