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

Systemtic Name: 1-[4-(4-methyl-6-phenylazanyl-pyrimidin-2-yl)piperazin-1-yl]-4-phenyl-butan-1-one Openeye Name: 1-[4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazin-1-yl]-4-phenyl-butan-1-one CAS Name: 1-[4-(4-anilino-6-methyl-2-pyrimidinyl)-1-piperazinyl]-4-phenyl-1-butanone IUPAC Name: 1-[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-4-phenylbutan-1-one Traditional Name: 1-[4-(4-anilino-6-methyl-pyrimidin-2-yl)piperazino]-4-phenyl-butan-1-one Formula: C25H29N5O MolecularWeight: 415.53066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5O/c1-20-19-23(27-22-12-6-3-7-13-22)28-25(26-20)30-17-15-29(16-18-30)24(31)14-8-11-21-9-4-2-5-10-21/h2-7,9-10,12-13,19H,8,11,14-18H2,1H3,(H,26,27,28)