2-azanyl-6-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrimidine-4-carboxamide

Systemtic Name: 2-azanyl-6-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrimidine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-[(4-isobutylphenyl)methyl]-3-piperidyl]-6-methyl-pyrimidine-4-carboxamide CAS Name: 2-amino-6-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidinyl]-4-pyrimidinecarboxamide IUPAC Name: 2-amino-6-methyl-N-[(3S)-1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pyrimidine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-(4-isobutylbenzyl)-3-piperidyl]-6-methyl-pyrimidine-4-carboxamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C(=O)NC2CCCN(C2)CC3=CC=C(C=C3)CC(C)C)N

Isomeric SMILES

CC1=NC(=NC(=C1)C(=O)N[C@H]2CCCN(C2)CC3=CC=C(C=C3)CC(C)C)N

InChI

InChI=1S/C22H31N5O/c1-15(2)11-17-6-8-18(9-7-17)13-27-10-4-5-19(14-27)25-21(28)20-12-16(3)24-22(23)26-20/h6-9,12,15,19H,4-5,10-11,13-14H2,1-3H3,(H,25,28)(H2,23,24,26)/t19-/m0/s1