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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-fluorophenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-fluorobenzyl)pyrrolidin-3-yl]amine Formula: C21H28FN5 MolecularWeight: 369.478923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC(=CC=C4)F

Isomeric SMILES

C1CCCN(CC1)C2=NC(=NC=C2)NC3CCN(C3)CC4=CC(=CC=C4)F

InChI

InChI=1S/C21H28FN5/c22-18-7-5-6-17(14-18)15-26-13-9-19(16-26)24-21-23-10-8-20(25-21)27-11-3-1-2-4-12-27/h5-8,10,14,19H,1-4,9,11-13,15-16H2,(H,23,24,25)