2-azanyl-N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethyl]-2-methyl-propanamide

Systemtic Name: 2-azanyl-N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-piperidin-2-yl]ethyl]-2-methyl-propanamide Openeye Name: 2-amino-N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]ethyl]-2-methyl-propanamide CAS Name: 2-amino-N-[2-[3-[[4-(1-azepanyl)-2-pyrimidinyl]amino]-1-cyclohexyl-2-piperidinyl]ethyl]-2-methylpropanamide IUPAC Name: 2-amino-N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexylpiperidin-2-yl]ethyl]-2-methylpropanamide Traditional Name: 2-amino-N-[2-[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-2-piperidyl]ethyl]-2-methyl-propionamide Formula: C27H47N7O MolecularWeight: 485.70838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCC1C(CCCN1C2CCCCC2)NC3=NC=CC(=N3)N4CCCCCC4)N

Isomeric SMILES

CC(C)(C(=O)NCCC1C(CCCN1C2CCCCC2)NC3=NC=CC(=N3)N4CCCCCC4)N

InChI

InChI=1S/C27H47N7O/c1-27(2,28)25(35)29-16-14-23-22(13-10-20-34(23)21-11-6-5-7-12-21)31-26-30-17-15-24(32-26)33-18-8-3-4-9-19-33/h15,17,21-23H,3-14,16,18-20,28H2,1-2H3,(H,29,35)(H,30,31,32)