(2S)-N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: (2S)-N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: (2S)-N-(m-tolyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: (2S)-N-(3-methylphenyl)-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: (2S)-N-(3-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: (2S)-N-(m-tolyl)-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C18H23N5O MolecularWeight: 325.40812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H23N5O/c1-14-5-3-6-16(13-14)21-17(24)15(2)22-9-11-23(12-10-22)18-19-7-4-8-20-18/h3-8,13,15H,9-12H2,1-2H3,(H,21,24)/t15-/m0/s1