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

Systemtic Name: 3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C19H12N4O4S MolecularWeight: 392.38798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC=C4C=CC(=O)C(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC=C4C=CC(=O)C(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O4S/c24-16-7-6-12(8-15(16)23(26)27)9-21-22-11-20-18-17(19(22)25)14(10-28-18)13-4-2-1-3-5-13/h1-11,21H