[4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]-naphthalen-2-yl-methanone

Systemtic Name: [4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]-naphthalen-2-yl-methanone Openeye Name: [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(2-naphthyl)methanone CAS Name: [4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-(2-naphthalenyl)methanone IUPAC Name: [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-naphthalen-2-ylmethanone Traditional Name: [4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]-(2-naphthyl)methanone Formula: C27H27N5O MolecularWeight: 437.53618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H27N5O/c1-19-7-11-24(12-8-19)29-25-17-20(2)28-27(30-25)32-15-13-31(14-16-32)26(33)23-10-9-21-5-3-4-6-22(21)18-23/h3-12,17-18H,13-16H2,1-2H3,(H,28,29,30)