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

Systemtic Name: 8-oxidanylidene-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide Openeye Name: 8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-9-(2-thienyl)-1,7-dihydropurine-6-carboxamide CAS Name: 8-oxo-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide IUPAC Name: 8-oxo-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-9-thiophen-2-yl-1,7-dihydropurine-6-carboxamide Traditional Name: 8-keto-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-9-(2-thienyl)-1,7-dihydropurine-6-carboxamide Formula: C16H11N5O3S MolecularWeight: 353.35524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N5O3S/c17-13(23)11-12-15(21(16(24)19-12)10-6-3-7-25-10)20-14(18-11)8-4-1-2-5-9(8)22/h1-7,18H,(H2,17,23)(H,19,24)