6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine

Systemtic Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Openeye Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine CAS Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine IUPAC Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Traditional Name: [2-amino-6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C13H13BrN6 MolecularWeight: 333.18652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)Br

Isomeric SMILES

C1CNC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)Br

InChI

InChI=1S/C13H13BrN6/c14-8-3-1-7(2-4-8)9-5-6-17-12-10(18-9)11(15)19-13(16)20-12/h1-4H,5-6H2,(H5,15,16,17,19,20)