(5R)-7-azanyl-6-cyano-5-(5-methyl-4-nitro-thiophen-2-yl)-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate

Systemtic Name: (5R)-7-azanyl-6-cyano-5-(5-methyl-4-nitro-thiophen-2-yl)-4-oxidanylidene-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Openeye Name: (5R)-7-amino-6-cyano-5-(5-methyl-4-nitro-2-thienyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate CAS Name: (5R)-7-amino-6-cyano-5-(5-methyl-4-nitro-2-thiophenyl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate IUPAC Name: (5R)-7-amino-6-cyano-5-(5-methyl-4-nitrothiophen-2-yl)-4-oxo-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Traditional Name: (5R)-7-amino-6-cyano-4-keto-5-(5-methyl-4-nitro-2-thienyl)-3,5-dihydropyrano[2,3-d]pyrimidin-2-olate Formula: C13H8N5O5S- MolecularWeight: 346.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2C(=C(OC3=C2C(=O)NC(=N3)[O-])N)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)[C@@H]2C(=C(OC3=C2C(=O)NC(=N3)[O-])N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H9N5O5S/c1-4-6(18(21)22)2-7(24-4)8-5(3-14)10(15)23-12-9(8)11(19)16-13(20)17-12/h2,8H,15H2,1H3,(H2,16,17,19,20)/p-1/t8-/m0/s1