1-butyl-3-(3-chlorophenyl)-2,4-bis(oxidanylidene)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide

Systemtic Name: 1-butyl-3-(3-chlorophenyl)-2,4-bis(oxidanylidene)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 1-butyl-3-(3-chlorophenyl)-2,4-dioxo-N-(4-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 1-butyl-3-(3-chlorophenyl)-2,4-dioxo-N-(pyridin-4-ylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 1-butyl-3-(3-chlorophenyl)-2,4-dioxo-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-chlorophenyl)-2,4-diketo-N-(4-pyridylmethyl)pyrimidine-5-carboxamide Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

CCCCN1C=C(C(=O)N(C1=O)C2=CC(=CC=C2)Cl)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C21H21ClN4O3/c1-2-3-11-25-14-18(19(27)24-13-15-7-9-23-10-8-15)20(28)26(21(25)29)17-6-4-5-16(22)12-17/h4-10,12,14H,2-3,11,13H2,1H3,(H,24,27)