N-[2,6-di(propan-2-yl)phenyl]-4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazine-1-carboxamide

Systemtic Name: N-[2,6-di(propan-2-yl)phenyl]-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-(2,6-diisopropylphenyl)piperazine-1-carboxamide CAS Name: N-[2,6-di(propan-2-yl)phenyl]-4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)-N-[2,6-di(propan-2-yl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)-N-(2,6-diisopropylphenyl)piperazine-1-carboxamide Formula: C31H41N5O MolecularWeight: 499.69014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C31H41N5O/c1-7-28-27(20-24-12-9-8-10-13-24)30(33-23(6)32-28)35-16-18-36(19-17-35)31(37)34-29-25(21(2)3)14-11-15-26(29)22(4)5/h8-15,21-22H,7,16-20H2,1-6H3,(H,34,37)