ethyl 2,4-bis(oxidanylidene)-6-(phenylmethyl)-1-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,4-bis(oxidanylidene)-6-(phenylmethyl)-1-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 6-benzyl-2,4-dioxo-1-(4-pyridylmethyl)pyrimidine-5-carboxylate CAS Name: 2,4-dioxo-6-(phenylmethyl)-1-(pyridin-4-ylmethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-benzyl-2,4-dioxo-1-(pyridin-4-ylmethyl)pyrimidine-5-carboxylate Traditional Name: 6-benzyl-2,4-diketo-1-(4-pyridylmethyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1=O)CC2=CC=NC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O4/c1-2-27-19(25)17-16(12-14-6-4-3-5-7-14)23(20(26)22-18(17)24)13-15-8-10-21-11-9-15/h3-11H,2,12-13H2,1H3,(H,22,24,26)