4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-tert-butylphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-tert-butylbenzyl)-3-piperidyl]amine Formula: C26H39N5 MolecularWeight: 421.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C26H39N5/c1-26(2,3)22-12-10-21(11-13-22)19-30-16-8-9-23(20-30)28-25-27-15-14-24(29-25)31-17-6-4-5-7-18-31/h10-15,23H,4-9,16-20H2,1-3H3,(H,27,28,29)