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

Systemtic Name: N4-(3-bromophenyl)-6-[(2-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-(o-tolylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[(2-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-[(2-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(2-methylbenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C20H18BrN5 MolecularWeight: 408.29442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

Isomeric SMILES

CC1=CC=CC=C1CC2=CC3=C(N2)N=C(N=C3NC4=CC(=CC=C4)Br)N

InChI

InChI=1S/C20H18BrN5/c1-12-5-2-3-6-13(12)9-16-11-17-18(25-20(22)26-19(17)24-16)23-15-8-4-7-14(21)10-15/h2-8,10-11H,9H2,1H3,(H4,22,23,24,25,26)