1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[4-[(4-methoxyphenyl)amino]-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-pyrimidin-2-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[4-(4-methoxyanilino)-6-methyl-2-pyrimidinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[4-methyl-6-(p-anisidino)pyrimidin-2-yl]piperazino]-3-phenyl-propan-1-one Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3)NC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCN(CC2)C(=O)CCC3=CC=CC=C3)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N5O2/c1-19-18-23(27-21-9-11-22(32-2)12-10-21)28-25(26-19)30-16-14-29(15-17-30)24(31)13-8-20-6-4-3-5-7-20/h3-7,9-12,18H,8,13-17H2,1-2H3,(H,26,27,28)