2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-9-thiophen-2-yl-7H-purine-6-carboxamide

Systemtic Name: 2-(4-methoxy-3-oxidanyl-phenyl)-8-oxidanylidene-9-thiophen-2-yl-7H-purine-6-carboxamide Openeye Name: 2-(3-hydroxy-4-methoxy-phenyl)-8-oxo-9-(2-thienyl)-7H-purine-6-carboxamide CAS Name: 2-(3-hydroxy-4-methoxyphenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide IUPAC Name: 2-(3-hydroxy-4-methoxyphenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide Traditional Name: 2-(3-hydroxy-4-methoxy-phenyl)-8-keto-9-(2-thienyl)-7H-purine-6-carboxamide Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N)O

InChI

InChI=1S/C17H13N5O4S/c1-26-10-5-4-8(7-9(10)23)15-19-12(14(18)24)13-16(21-15)22(17(25)20-13)11-3-2-6-27-11/h2-7,23H,1H3,(H2,18,24)(H,20,25)