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

Systemtic Name: 2-methyl-3-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-methyl-3-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]thieno[2,3-d]pyrimidin-4-one CAS Name: 2-methyl-3-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-methyl-3-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-2-methyl-thieno[2,3-d]pyrimidin-4-one Formula: C14H10N4O4S MolecularWeight: 330.3186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CS2)C(=O)N1NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=C(C=CS2)C(=O)N1NC=C3C=CC(=O)C(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O4S/c1-8-16-13-10(4-5-23-13)14(20)17(8)15-7-9-2-3-12(19)11(6-9)18(21)22/h2-7,15H,1H3