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

Systemtic Name: [4-[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]piperazin-1-yl]-naphthalen-1-yl-methanone Openeye Name: [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-(1-naphthyl)methanone CAS Name: [4-[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]-1-piperazinyl]-(1-naphthalenyl)methanone IUPAC Name: [4-[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]piperazin-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-[4-methyl-6-(p-toluidino)pyrimidin-2-yl]piperazino]-(1-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=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3CCN(CC3)C(=O)C4=CC=CC5=CC=CC=C54

InChI

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