[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-(pyrazol-1-ylmethyl)benzoate

Systemtic Name: [1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]methyl 4-(pyrazol-1-ylmethyl)benzoate Openeye Name: (1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate CAS Name: 4-(1-pyrazolylmethyl)benzoic acid (1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methyl ester IUPAC Name: (1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate Traditional Name: 4-(pyrazol-1-ylmethyl)benzoic acid (2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methyl ester Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)COC(=O)C2=CC=C(C=C2)CN3C=CC=N3

InChI

InChI=1S/C18H18N4O4/c1-20-15(10-16(23)21(2)18(20)25)12-26-17(24)14-6-4-13(5-7-14)11-22-9-3-8-19-22/h3-10H,11-12H2,1-2H3