N4-(3-bromophenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: N4-(3-bromophenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(3,4,5-trimethoxybenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C22H22BrN5O3 MolecularWeight: 484.34578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C22H22BrN5O3/c1-29-17-8-12(9-18(30-2)19(17)31-3)7-15-11-16-20(27-22(24)28-21(16)26-15)25-14-6-4-5-13(23)10-14/h4-6,8-11H,7H2,1-3H3,(H4,24,25,26,27,28)