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

Systemtic Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Openeye Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine CAS Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine IUPAC Name: 6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Traditional Name: [6-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C13H12N6O2 MolecularWeight: 284.27338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O2/c14-12-11-13(17-7-16-12)15-6-5-10(18-11)8-1-3-9(4-2-8)19(20)21/h1-4,7H,5-6H2,(H3,14,15,16,17)