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

Systemtic Name: N4-(3-bromophenyl)-6-[(2-chlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: N4-(3-bromophenyl)-6-[(2-chlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-[(2-chlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 4-N-(3-bromophenyl)-6-[(2-chlorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-(2-chlorobenzyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-(3-bromophenyl)amine Formula: C19H15BrClN5 MolecularWeight: 428.7129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrClN5/c20-12-5-3-6-13(9-12)23-17-15-10-14(24-18(15)26-19(22)25-17)8-11-4-1-2-7-16(11)21/h1-7,9-10H,8H2,(H4,22,23,24,25,26)