4-(azepan-1-yl)-N-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(2-benzyloxyethyl)-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2-phenylmethoxyethyl)-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2-benzoxyethyl)-3-piperidyl]amine Formula: C24H35N5O MolecularWeight: 409.5676

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CCOCC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CCOCC4=CC=CC=C4

InChI

InChI=1S/C24H35N5O/c1-2-7-16-29(15-6-1)23-12-13-25-24(27-23)26-22-11-8-14-28(19-22)17-18-30-20-21-9-4-3-5-10-21/h3-5,9-10,12-13,22H,1-2,6-8,11,14-20H2,(H,25,26,27)