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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC(C)(C)C)CC3=CC=CC=C3

InChI

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