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

Systemtic Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Openeye Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine CAS Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine IUPAC Name: 6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine Traditional Name: [6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-yl]amine Formula: C19H16N6O2 MolecularWeight: 360.36934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N6O2/c20-18-17-19(22-11-21-18)24-16(12-4-2-1-3-5-12)10-15(23-17)13-6-8-14(9-7-13)25(26)27/h1-9,11,16H,10H2,(H3,20,21,22,24)