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

Systemtic Name: 4-(azepan-1-yl)-N-[1-cyclohexyl-2-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-cyclohexyl-2-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-cyclohexyl-2-[3-(1-pyrrolidinyl)propyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-cyclohexyl-2-(3-pyrrolidin-1-ylpropyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-cyclohexyl-2-(3-pyrrolidinopropyl)pyrrolidin-3-yl]amine Formula: C27H46N6 MolecularWeight: 454.69434

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3CCCN4CCCC4)C5CCCCC5

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3CCCN4CCCC4)C5CCCCC5

InChI

InChI=1S/C27H46N6/c1-2-7-21-32(20-6-1)26-14-16-28-27(30-26)29-24-15-22-33(23-11-4-3-5-12-23)25(24)13-10-19-31-17-8-9-18-31/h14,16,23-25H,1-13,15,17-22H2,(H,28,29,30)