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

Systemtic Name: N-butyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-butyl-piperazine-1-carboxamide CAS Name: N-butyl-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-butylpiperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-butyl-piperazine-1-carboxamide Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)CC)C

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)CC)C

InChI

InChI=1S/C23H33N5O/c1-4-6-12-24-23(29)28-15-13-27(14-16-28)22-20(17-19-10-8-7-9-11-19)21(5-2)25-18(3)26-22/h7-11H,4-6,12-17H2,1-3H3,(H,24,29)