1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione

Systemtic Name: 1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Openeye Name: 1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione CAS Name: 1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione IUPAC Name: 1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-dione Traditional Name: 1-(2-hydroxyethyl)-7,9-dimethyl-3-(3-nitrophenyl)-4H-purino[8,7-c][1,2,4]triazine-6,8-quinone Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CCO)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3CC(=NN(C3=N2)CCO)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O5/c1-20-14-13(15(26)21(2)17(20)27)22-9-12(19-23(6-7-25)16(22)18-14)10-4-3-5-11(8-10)24(28)29/h3-5,8,25H,6-7,9H2,1-2H3