4-(azepan-1-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-pyrrolidin-2-yl-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[2-(4-tert-butylphenyl)ethyl]-N-(2-pyrrolidinyl)-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-pyrrolidin-2-ylpyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[2-(4-tert-butylphenyl)ethyl]-pyrrolidin-2-yl-amine Formula: C26H39N5 MolecularWeight: 421.62136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N5/c1-26(2,3)22-12-10-21(11-13-22)15-20-31(23-9-8-16-27-23)25-28-17-14-24(29-25)30-18-6-4-5-7-19-30/h10-14,17,23,27H,4-9,15-16,18-20H2,1-3H3