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

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxy-phenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxy-phenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(4-hexoxy-3-methoxyphenyl)methyl]-3-pyrrolidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(4-hexoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(4-hexoxy-3-methoxy-benzyl)pyrrolidin-3-yl]amine Formula: C28H43N5O2 MolecularWeight: 481.67332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)NC3=NC=CC(=N3)N4CCCCCC4)OC

InChI

InChI=1S/C28H43N5O2/c1-3-4-5-10-19-35-25-12-11-23(20-26(25)34-2)21-32-18-14-24(22-32)30-28-29-15-13-27(31-28)33-16-8-6-7-9-17-33/h11-13,15,20,24H,3-10,14,16-19,21-22H2,1-2H3,(H,29,30,31)