7-azanyl-5-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-4-oxidanylidene-2-sulfanyl-1,8-dihydropyrido[2,3-d]pyrimidin-3-ium-6-carbonitrile

Systemtic Name: 7-azanyl-5-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-4-oxidanylidene-2-sulfanyl-1,8-dihydropyrido[2,3-d]pyrimidin-3-ium-6-carbonitrile Openeye Name: 7-amino-5-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-4-oxo-2-sulfanyl-1,8-dihydropyrido[2,3-d]pyrimidin-3-ium-6-carbonitrile CAS Name: 7-amino-2-mercapto-5-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-4-oxo-1,8-dihydropyrido[2,3-d]pyrimidin-3-ium-6-carbonitrile IUPAC Name: 7-amino-5-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-4-oxo-2-sulfanyl-1,8-dihydropyrido[2,3-d]pyrimidin-3-ium-6-carbonitrile Traditional Name: 7-amino-4-keto-5-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-mercapto-1,8-dihydropyrido[2,3-d]pyrimidin-3-ium-6-carbonitrile Formula: C15H12N5O3S+ MolecularWeight: 342.35248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C2C(=C(NC3=C2C(=O)[NH+]=C(N3)S)N)C#N)C=CC1=O

Isomeric SMILES

COC1=CC(=C2C(=C(NC3=C2C(=O)[NH+]=C(N3)S)N)C#N)C=CC1=O

InChI

InChI=1S/C15H11N5O3S/c1-23-9-4-6(2-3-8(9)21)10-7(5-16)12(17)18-13-11(10)14(22)20-15(24)19-13/h2-4H,17H2,1H3,(H3,18,19,20,22,24)/p+1