4-[(Z)-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)iminomethyl]-2-nitro-phenolate Formula: C20H13N4O4S- MolecularWeight: 405.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN(C2=O)N=CC3=CC(=C(C=C3)[O-])[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN(C2=O)/N=C\C3=CC(=C(C=C3)[O-])[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C20H14N4O4S/c1-12-17(14-5-3-2-4-6-14)18-19(29-12)21-11-23(20(18)26)22-10-13-7-8-16(25)15(9-13)24(27)28/h2-11,25H,1H3/p-1/b22-10-