dimethyl 1-[(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-1,2,3-triazole-4,5-dicarboxylate

Systemtic Name: dimethyl 1-[(5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-1,2,3-triazole-4,5-dicarboxylate Openeye Name: dimethyl 1-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]triazole-4,5-dicarboxylate CAS Name: 1-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-[(5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]triazole-4,5-dicarboxylate Traditional Name: 1-[(5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl)methyl]triazole-4,5-dicarboxylic acid dimethyl ester Formula: C20H21N5O7 MolecularWeight: 443.41004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C(=C(N=N3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CN3C(=C(N=N3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C20H21N5O7/c1-4-32-17(26)13-12(21-20(29)22-14(13)11-8-6-5-7-9-11)10-25-16(19(28)31-3)15(23-24-25)18(27)30-2/h5-9,14H,4,10H2,1-3H3,(H2,21,22,29)