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

Systemtic Name: N4-(3-bromophenyl)-6-[(2,5-dimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-[(2,5-dimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[(2,5-dimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-[(2,5-dimethoxyphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(2,5-dimethoxybenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C21H20BrN5O2 MolecularWeight: 454.3198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C21H20BrN5O2/c1-28-16-6-7-18(29-2)12(9-16)8-15-11-17-19(26-21(23)27-20(17)25-15)24-14-5-3-4-13(22)10-14/h3-7,9-11H,8H2,1-2H3,(H4,23,24,25,26,27)