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

Systemtic Name: N-ethyl-4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide Openeye Name: N-ethyl-4-[6-ethyl-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide CAS Name: N-ethyl-4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinecarboxamide IUPAC Name: N-ethyl-4-[6-ethyl-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazine-1-carboxamide Traditional Name: N-ethyl-4-[6-ethyl-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazine-1-carboxamide Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NCC)CC4=CC=CC(=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)NCC)CC4=CC=CC(=C4)C

InChI

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