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

Systemtic Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Openeye Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine CAS Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine IUPAC Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine Traditional Name: [2-amino-6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C13H13N7O2 MolecularWeight: 299.28802

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CNC2=C(C(=NC(=N2)N)N)N=C1C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N7O2/c14-11-10-12(19-13(15)18-11)16-6-5-9(17-10)7-1-3-8(4-2-7)20(21)22/h1-4H,5-6H2,(H5,14,15,16,18,19)