(4-tert-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone CAS Name: (4-tert-butylphenyl)-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(4-tert-butylphenyl)methanone Traditional Name: [4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-(4-tert-butylphenyl)methanone Formula: C29H36N4O MolecularWeight: 456.62234

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)CC4=CC=CC=C4

InChI

InChI=1S/C29H36N4O/c1-6-26-25(20-22-10-8-7-9-11-22)27(31-21(2)30-26)32-16-18-33(19-17-32)28(34)23-12-14-24(15-13-23)29(3,4)5/h7-15H,6,16-20H2,1-5H3