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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-heptoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-heptoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-heptoxyphenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-heptoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-heptoxybenzyl)pyrrolidin-3-yl]amine Formula: C28H43N5O MolecularWeight: 465.67392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4

InChI

InChI=1S/C28H43N5O/c1-2-3-4-7-10-21-34-26-13-11-24(12-14-26)22-32-20-16-25(23-32)30-28-29-17-15-27(31-28)33-18-8-5-6-9-19-33/h11-15,17,25H,2-10,16,18-23H2,1H3,(H,29,30,31)