4-(azepan-1-yl)-N-piperidin-3-yl-3-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-piperidin-3-yl-3-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-(3-piperidyl)-3-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-(3-piperidinyl)-3-[2-(2,6,6-trimethyl-1-cyclohexenyl)ethyl]-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-N-piperidin-3-yl-3-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-4H-pyrimidin-2-yl]-(3-piperidyl)amine Formula: C26H45N5 MolecularWeight: 427.669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(CCC1)(C)C)CCN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

Isomeric SMILES

CC1=C(C(CCC1)(C)C)CCN2C(C=CN=C2NC3CCCNC3)N4CCCCCC4

InChI

InChI=1S/C26H45N5/c1-21-10-8-14-26(2,3)23(21)13-19-31-24(30-17-6-4-5-7-18-30)12-16-28-25(31)29-22-11-9-15-27-20-22/h12,16,22,24,27H,4-11,13-15,17-20H2,1-3H3,(H,28,29)