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

Systemtic Name: 1-butyl-3-(3-cyanophenyl)-2,4-bis(oxidanylidene)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide Openeye Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-N-(4-pyridylmethyl)pyrimidine-5-carboxamide CAS Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-N-(pyridin-4-ylmethyl)-5-pyrimidinecarboxamide IUPAC Name: 1-butyl-3-(3-cyanophenyl)-2,4-dioxo-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide Traditional Name: 1-butyl-3-(3-cyanophenyl)-2,4-diketo-N-(4-pyridylmethyl)pyrimidine-5-carboxamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-2-3-11-26-15-19(20(28)25-14-16-7-9-24-10-8-16)21(29)27(22(26)30)18-6-4-5-17(12-18)13-23/h4-10,12,15H,2-3,11,14H2,1H3,(H,25,28)