[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]piperazino]-(4-nitrophenyl)methanone Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C

InChI

InChI=1S/C26H29N5O3/c1-4-24-23(17-20-7-5-18(2)6-8-20)25(28-19(3)27-24)29-13-15-30(16-14-29)26(32)21-9-11-22(12-10-21)31(33)34/h5-12H,4,13-17H2,1-3H3