3-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(5-methoxy-3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(5-methoxy-3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(5-methoxy-3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(6-keto-5-methoxy-3-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H14N4O5S MolecularWeight: 422.41396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)C1=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=CNN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)C1=O)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O5S/c1-29-16-8-14(24(27)28)7-13(18(16)25)9-22-23-11-21-19-17(20(23)26)15(10-30-19)12-5-3-2-4-6-12/h2-11,22H,1H3