4-(azepan-1-yl)-N-[1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(2,4,6-trimethoxyphenyl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(2,4,6-trimethoxyphenyl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(2,4,6-trimethoxyphenyl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2,4,6-trimethoxybenzyl)-3-piperidyl]amine Formula: C25H37N5O3 MolecularWeight: 455.59298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CN2CCCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OC

InChI

InChI=1S/C25H37N5O3/c1-31-20-15-22(32-2)21(23(16-20)33-3)18-29-12-8-9-19(17-29)27-25-26-11-10-24(28-25)30-13-6-4-5-7-14-30/h10-11,15-16,19H,4-9,12-14,17-18H2,1-3H3,(H,26,27,28)