4-(azepan-1-yl)-N-[(3S)-1-cyclohexylpyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[(3S)-1-cyclohexylpyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[(3S)-1-cyclohexylpyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[(3S)-1-cyclohexyl-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[(3S)-1-cyclohexylpyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[(3S)-1-cyclohexylpyrrolidin-3-yl]amine Formula: C20H33N5 MolecularWeight: 343.50952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)C4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)N[C@H]3CCN(C3)C4CCCCC4

InChI

InChI=1S/C20H33N5/c1-2-7-14-24(13-6-1)19-10-12-21-20(23-19)22-17-11-15-25(16-17)18-8-4-3-5-9-18/h10,12,17-18H,1-9,11,13-16H2,(H,21,22,23)/t17-/m0/s1