5-[(Z)-N-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylate

Systemtic Name: 5-[(Z)-N-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylate Openeye Name: 5-[(Z)-N-(benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methyl-carbonimidoyl]thiophene-2-carboxylate CAS Name: 5-[(1Z)-1-(4-benzofuro[3,2-d]pyrimidinylhydrazinylidene)ethyl]-2-thiophenecarboxylate IUPAC Name: 5-[(Z)-N-([1]benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylate Traditional Name: 5-[(Z)-N-(benzofuro[3,2-d]pyrimidin-4-ylamino)-C-methyl-carbonimidoyl]-2-thenoate Formula: C17H11N4O3S- MolecularWeight: 351.35924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC=NC2=C1OC3=CC=CC=C32)C4=CC=C(S4)C(=O)[O-]

Isomeric SMILES

C/C(=N/NC1=NC=NC2=C1OC3=CC=CC=C32)/C4=CC=C(S4)C(=O)[O-]

InChI

InChI=1S/C17H12N4O3S/c1-9(12-6-7-13(25-12)17(22)23)20-21-16-15-14(18-8-19-16)10-4-2-3-5-11(10)24-15/h2-8H,1H3,(H,22,23)(H,18,19,21)/p-1/b20-9-