6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine

Systemtic Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Openeye Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine CAS Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine IUPAC Name: 6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Traditional Name: [6-(4-bromophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C13H12BrN5 MolecularWeight: 318.17188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrN5/c14-9-3-1-8(2-4-9)10-5-6-16-13-11(19-10)12(15)17-7-18-13/h1-4,7H,5-6H2,(H3,15,16,17,18)