2-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide

Systemtic Name: 2-(5-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide Openeye Name: 2-(5-methoxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)-8-oxo-9-(2-thienyl)-1,7-dihydropurine-6-carboxamide CAS Name: 2-(5-methoxy-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide IUPAC Name: 2-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide Traditional Name: 8-keto-2-(6-keto-5-methoxy-cyclohexa-2,4-dien-1-ylidene)-9-(2-thienyl)-1,7-dihydropurine-6-carboxamide Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N)C1=O

Isomeric SMILES

COC1=CC=CC(=C2NC(=C3C(=N2)N(C(=O)N3)C4=CC=CS4)C(=O)N)C1=O

InChI

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