4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]-N-(3-ethylphenyl)piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide CAS Name: 4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-N-(3-ethylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3=NC(=NC(=C3CC4=CC=CC=C4)CC)C

InChI

InChI=1S/C27H33N5O/c1-4-21-12-9-13-23(18-21)30-27(33)32-16-14-31(15-17-32)26-24(19-22-10-7-6-8-11-22)25(5-2)28-20(3)29-26/h6-13,18H,4-5,14-17,19H2,1-3H3,(H,30,33)