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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-dimethylaminophenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-dimethylaminophenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]pyrrolidino]methyl]phenyl]-dimethyl-amine Formula: C23H34N6 MolecularWeight: 394.55626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C23H34N6/c1-27(2)21-9-7-19(8-10-21)17-28-16-12-20(18-28)25-23-24-13-11-22(26-23)29-14-5-3-4-6-15-29/h7-11,13,20H,3-6,12,14-18H2,1-2H3,(H,24,25,26)