4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-dimethylaminophenyl)methyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-[[4-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidino]methyl]phenyl]-dimethyl-amine Formula: C24H36N6 MolecularWeight: 408.58284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCC(CC2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C24H36N6/c1-28(2)22-9-7-20(8-10-22)19-29-17-12-21(13-18-29)26-24-25-14-11-23(27-24)30-15-5-3-4-6-16-30/h7-11,14,21H,3-6,12-13,15-19H2,1-2H3,(H,25,26,27)