(4-methylpiperidin-1-yl)-[(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]methanone

Systemtic Name: (4-methylpiperidin-1-yl)-[(2S)-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidin-2-yl]methanone Openeye Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [(2S)-1-(4-anilino-2-pyrimidinyl)-2-pyrrolidinyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [(2S)-1-(4-anilinopyrimidin-2-yl)pyrrolidin-2-yl]-(4-methylpiperidino)methanone Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c1-16-10-14-25(15-11-16)20(27)18-8-5-13-26(18)21-22-12-9-19(24-21)23-17-6-3-2-4-7-17/h2-4,6-7,9,12,16,18H,5,8,10-11,13-15H2,1H3,(H,22,23,24)/t18-/m0/s1