4-(azepan-1-yl)-N-[(2R,3S)-1-cyclohexyl-2-(2-dimethylaminoethyl)pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[(2R,3S)-1-cyclohexyl-2-(2-dimethylaminoethyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(2R,3S)-1-cyclohexyl-2-(2-dimethylaminoethyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(2R,3S)-1-cyclohexyl-2-(2-dimethylaminoethyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(2R,3S)-1-cyclohexyl-2-(2-dimethylaminoethyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: 2-[(2R,3S)-3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]-1-cyclohexyl-pyrrolidin-2-yl]ethyl-dimethyl-amine Formula: C24H42N6 MolecularWeight: 414.63048

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1C(CCN1C2CCCCC2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CN(C)CC[C@@H]1[C@H](CCN1C2CCCCC2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C24H42N6/c1-28(2)18-14-22-21(13-19-30(22)20-10-6-5-7-11-20)26-24-25-15-12-23(27-24)29-16-8-3-4-9-17-29/h12,15,20-22H,3-11,13-14,16-19H2,1-2H3,(H,25,26,27)/t21-,22+/m0/s1