(3S)-N-(3,4-dimethylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine

Systemtic Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine Openeye Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine CAS Name: (3S)-N-(3,4-dimethylphenyl)-1-[[1-(2-pyrimidinyl)-2-pyrrolyl]methyl]-3-piperidinamine IUPAC Name: (3S)-N-(3,4-dimethylphenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-amine Traditional Name: (3,4-dimethylphenyl)-[(3S)-1-[[1-(2-pyrimidyl)pyrrol-2-yl]methyl]-3-piperidyl]amine Formula: C22H27N5 MolecularWeight: 361.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N[C@H]2CCCN(C2)CC3=CC=CN3C4=NC=CC=N4)C

InChI

InChI=1S/C22H27N5/c1-17-8-9-19(14-18(17)2)25-20-6-3-12-26(15-20)16-21-7-4-13-27(21)22-23-10-5-11-24-22/h4-5,7-11,13-14,20,25H,3,6,12,15-16H2,1-2H3/t20-/m0/s1