4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-3-[3-(4-tert-butylphenyl)-2-methylpropyl]-N-(3-pyrrolidinyl)-4H-pyrimidin-2-amine IUPAC Name: 4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methylpropyl]-N-pyrrolidin-3-yl-4H-pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)-3-[3-(4-tert-butylphenyl)-2-methyl-propyl]-4H-pyrimidin-2-yl]-pyrrolidin-3-yl-amine Formula: C28H45N5 MolecularWeight: 451.6904

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)(C)C)CN2C(C=CN=C2NC3CCNC3)N4CCCCCC4

InChI

InChI=1S/C28H45N5/c1-22(19-23-9-11-24(12-10-23)28(2,3)4)21-33-26(32-17-7-5-6-8-18-32)14-16-30-27(33)31-25-13-15-29-20-25/h9-12,14,16,22,25-26,29H,5-8,13,15,17-21H2,1-4H3,(H,30,31)