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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(3-methylsulfanylpropyl)-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[3-(methylthio)propyl]-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(3-methylsulfanylpropyl)piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-[3-(methylthio)propyl]-4-piperidyl]amine Formula: C19H33N5S MolecularWeight: 363.56382

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1CCC(CC1)NC2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CSCCCN1CCC(CC1)NC2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C19H33N5S/c1-25-16-6-11-23-14-8-17(9-15-23)21-19-20-10-7-18(22-19)24-12-4-2-3-5-13-24/h7,10,17H,2-6,8-9,11-16H2,1H3,(H,20,21,22)