5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[8-(3,5-dimethoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]methyl]pyrimidin-4-yl]amine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2C3CCC2CC(C3)CC4=CN=C(N=C4N)N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2C3CCC2CC(C3)CC4=CN=C(N=C4N)N)OC

InChI

InChI=1S/C20H27N5O2/c1-26-17-8-16(9-18(10-17)27-2)25-14-3-4-15(25)7-12(6-14)5-13-11-23-20(22)24-19(13)21/h8-12,14-15H,3-7H2,1-2H3,(H4,21,22,23,24)