7-azanyl-1-methyl-3-[(2-nitrophenyl)methyl]-8H-pyrimido[4,5-c]pyridazine-4,5-dione

Systemtic Name: 7-azanyl-1-methyl-3-[(2-nitrophenyl)methyl]-8H-pyrimido[4,5-c]pyridazine-4,5-dione Openeye Name: 7-amino-1-methyl-3-[(2-nitrophenyl)methyl]-8H-pyrimido[4,5-c]pyridazine-4,5-dione CAS Name: 7-amino-1-methyl-3-[(2-nitrophenyl)methyl]-8H-pyrimido[4,5-c]pyridazine-4,5-dione IUPAC Name: 7-amino-1-methyl-3-[(2-nitrophenyl)methyl]-8H-pyrimido[4,5-c]pyridazine-4,5-dione Traditional Name: 7-amino-1-methyl-3-(2-nitrobenzyl)-8H-pyrimido[4,5-c]pyridazine-4,5-quinone Formula: C14H12N6O4 MolecularWeight: 328.28288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)C(=N1)CC3=CC=CC=C3[N+](=O)[O-])C(=O)N=C(N2)N

Isomeric SMILES

CN1C2=C(C(=O)C(=N1)CC3=CC=CC=C3[N+](=O)[O-])C(=O)N=C(N2)N

InChI

InChI=1S/C14H12N6O4/c1-19-12-10(13(22)17-14(15)16-12)11(21)8(18-19)6-7-4-2-3-5-9(7)20(23)24/h2-5H,6H2,1H3,(H3,15,16,17,22)