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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(quinolin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(2-quinolylmethyl)-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2-quinolinylmethyl)-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(quinolin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(2-quinolylmethyl)-3-piperidyl]amine Formula: C25H32N6 MolecularWeight: 416.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCCN(C3)CC4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H32N6/c1-2-6-17-31(16-5-1)24-13-14-26-25(29-24)28-21-9-7-15-30(18-21)19-22-12-11-20-8-3-4-10-23(20)27-22/h3-4,8,10-14,21H,1-2,5-7,9,15-19H2,(H,26,28,29)