dimethyl (2E)-2-[(1-azanyl-6-oxidanylidene-4-phenyl-pyrimidin-2-yl)hydrazinylidene]butanedioate

Systemtic Name: dimethyl (2E)-2-[(1-azanyl-6-oxidanylidene-4-phenyl-pyrimidin-2-yl)hydrazinylidene]butanedioate Openeye Name: dimethyl (2E)-2-[(1-amino-6-oxo-4-phenyl-pyrimidin-2-yl)hydrazono]butanedioate CAS Name: (2E)-2-[(1-amino-6-oxo-4-phenyl-2-pyrimidinyl)hydrazinylidene]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2E)-2-[(1-amino-6-oxo-4-phenylpyrimidin-2-yl)hydrazinylidene]butanedioate Traditional Name: (2E)-2-[(1-amino-6-keto-4-phenyl-pyrimidin-2-yl)hydrazono]succinic acid dimethyl ester Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=NNC1=NC(=CC(=O)N1N)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C/C(=N\NC1=NC(=CC(=O)N1N)C2=CC=CC=C2)/C(=O)OC

InChI

InChI=1S/C16H17N5O5/c1-25-14(23)9-12(15(24)26-2)19-20-16-18-11(8-13(22)21(16)17)10-6-4-3-5-7-10/h3-8H,9,17H2,1-2H3,(H,18,20)/b19-12+