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

Systemtic Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Openeye Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine CAS Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine IUPAC Name: 6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Traditional Name: [2-amino-6-(4-bromophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C19H17BrN6 MolecularWeight: 409.28248

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

C1C(NC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C19H17BrN6/c20-13-8-6-12(7-9-13)14-10-15(11-4-2-1-3-5-11)24-18-16(23-14)17(21)25-19(22)26-18/h1-9,15H,10H2,(H5,21,22,24,25,26)