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

Systemtic Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Openeye Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine CAS Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine IUPAC Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Traditional Name: [2-amino-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C19H17N7O2 MolecularWeight: 375.38398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C(NC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C19H17N7O2/c20-17-16-18(25-19(21)24-17)23-15(11-4-2-1-3-5-11)10-14(22-16)12-6-8-13(9-7-12)26(27)28/h1-9,15H,10H2,(H5,20,21,23,24,25)