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

Systemtic Name: 5-[8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine Openeye Name: 5-[8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine CAS Name: 5-[8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine IUPAC Name: 5-[8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrimidin-4-yl]amine Formula: C18H23N5O MolecularWeight: 325.40812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3CCC2CC(C3)C4=CN=C(N=C4N)N

Isomeric SMILES

COC1=CC=C(C=C1)N2C3CCC2CC(C3)C4=CN=C(N=C4N)N

InChI

InChI=1S/C18H23N5O/c1-24-15-6-4-12(5-7-15)23-13-2-3-14(23)9-11(8-13)16-10-21-18(20)22-17(16)19/h4-7,10-11,13-14H,2-3,8-9H2,1H3,(H4,19,20,21,22)