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

Systemtic Name: N4-(3-bromophenyl)-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 6-benzyl-N4-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: N4-(3-bromophenyl)-6-(phenylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 6-benzyl-4-N-(3-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: (2-amino-6-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(3-bromophenyl)amine Formula: C19H16BrN5 MolecularWeight: 394.26784

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN5/c20-13-7-4-8-14(10-13)22-17-16-11-15(9-12-5-2-1-3-6-12)23-18(16)25-19(21)24-17/h1-8,10-11H,9H2,(H4,21,22,23,24,25)