4-(azepan-1-yl)-N-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(1-cyclohex-3-enylmethyl)-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-3-yl]amine Formula: C21H33N5 MolecularWeight: 355.52022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4CCC=CC4

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4CCC=CC4

InChI

InChI=1S/C21H33N5/c1-2-7-14-26(13-6-1)20-10-12-22-21(24-20)23-19-11-15-25(17-19)16-18-8-4-3-5-9-18/h3-4,10,12,18-19H,1-2,5-9,11,13-17H2,(H,22,23,24)