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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(2,3-dimethoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-(1-o-veratryl-3-piperidyl)amine Formula: C24H35N5O2 MolecularWeight: 425.567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1OC)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C24H35N5O2/c1-30-21-11-7-9-19(23(21)31-2)17-28-14-8-10-20(18-28)26-24-25-13-12-22(27-24)29-15-5-3-4-6-16-29/h7,9,11-13,20H,3-6,8,10,14-18H2,1-2H3,(H,25,26,27)