4-(azepan-1-yl)-N-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-(1-isobutylpyrrolidin-3-yl)pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(2-methylpropyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(2-methylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-(1-isobutylpyrrolidin-3-yl)amine Formula: C18H31N5 MolecularWeight: 317.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

Isomeric SMILES

CC(C)CN1CCC(C1)NC2=NC=CC(=N2)N3CCCCCC3

InChI

InChI=1S/C18H31N5/c1-15(2)13-22-12-8-16(14-22)20-18-19-9-7-17(21-18)23-10-5-3-4-6-11-23/h7,9,15-16H,3-6,8,10-14H2,1-2H3,(H,19,20,21)