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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(3-methylbutyl)piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-(1-isopentyl-4-piperidyl)pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(3-methylbutyl)-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(3-methylbutyl)piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-(1-isoamyl-4-piperidyl)amine Formula: C20H35N5 MolecularWeight: 345.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC(CC1)NC2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CC(C)CCN1CCC(CC1)NC2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C20H35N5/c1-17(2)8-14-24-15-9-18(10-16-24)22-20-21-11-7-19(23-20)25-12-5-3-4-6-13-25/h7,11,17-18H,3-6,8-10,12-16H2,1-2H3,(H,21,22,23)