3-[(2-methylphenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(2-methylphenyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(2-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-(2-methylanilino)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(2-methylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-(o-toluidino)-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC=CC=C1NCCC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O/c1-15-5-2-3-6-16(15)19-10-7-17(24)22-11-13-23(14-12-22)18-20-8-4-9-21-18/h2-6,8-9,19H,7,10-14H2,1H3