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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCCC3=CC=CC=C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H31N5O2/c1-20-19-24(28-22-11-13-23(33-2)14-12-22)29-26(27-20)31-17-15-30(16-18-31)25(32)10-6-9-21-7-4-3-5-8-21/h3-5,7-8,11-14,19H,6,9-10,15-18H2,1-2H3,(H,27,28,29)