(5S)-7-azanyl-5-(3-chlorophenyl)-6-cyano-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate

Systemtic Name: (5S)-7-azanyl-5-(3-chlorophenyl)-6-cyano-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Openeye Name: (5S)-7-amino-5-(3-chlorophenyl)-6-cyano-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate CAS Name: (5S)-7-amino-5-(3-chlorophenyl)-6-cyano-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate IUPAC Name: (5S)-7-amino-5-(3-chlorophenyl)-6-cyano-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Traditional Name: (5S)-7-amino-5-(3-chlorophenyl)-6-cyano-4-keto-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Formula: C14H8ClN4O3- MolecularWeight: 315.69132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2C(=C(OC3=C2C(=O)NC(=N3)[O-])N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)Cl)[C@H]2C(=C(OC3=C2C(=O)NC(=N3)[O-])N)C#N

InChI

InChI=1S/C14H9ClN4O3/c15-7-3-1-2-6(4-7)9-8(5-16)11(17)22-13-10(9)12(20)18-14(21)19-13/h1-4,9H,17H2,(H2,18,19,20,21)/p-1/t9-/m0/s1