1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-[4-methyl-6-(p-anisidino)pyrimidin-2-yl]piperazino]-2-phenyl-butan-1-one Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=C(C=C4)OC)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=NC(=CC(=N3)NC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H31N5O2/c1-4-23(20-8-6-5-7-9-20)25(32)30-14-16-31(17-15-30)26-27-19(2)18-24(29-26)28-21-10-12-22(33-3)13-11-21/h5-13,18,23H,4,14-17H2,1-3H3,(H,27,28,29)