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

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-hexoxy-3-methoxy-phenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-hexoxy-3-methoxy-phenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(4-hexoxy-3-methoxyphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-hexoxy-3-methoxyphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-hexoxy-3-methoxy-phenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C29H45N5O2 MolecularWeight: 495.6999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CCN(C2CCCN2)C3=NC=CC(=N3)N4CCCCCC4)OC

InChI

InChI=1S/C29H45N5O2/c1-3-4-5-10-22-36-25-14-13-24(23-26(25)35-2)16-21-34(27-12-11-17-30-27)29-31-18-15-28(32-29)33-19-8-6-7-9-20-33/h13-15,18,23,27,30H,3-12,16-17,19-22H2,1-2H3