N-(2-ethylphenyl)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-(2-ethylphenyl)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-(2-ethylphenyl)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-(2-ethylphenyl)-4-[6-(2-methyl-1-imidazolyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-(2-ethylphenyl)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(2-ethylphenyl)-4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide Formula: C21H25N7O MolecularWeight: 391.4695

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CN=C4C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCN(CC2)C3=NC=NC(=C3)N4C=CN=C4C

InChI

InChI=1S/C21H25N7O/c1-3-17-6-4-5-7-18(17)25-21(29)27-12-10-26(11-13-27)19-14-20(24-15-23-19)28-9-8-22-16(28)2/h4-9,14-15H,3,10-13H2,1-2H3,(H,25,29)