3-(2-methyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonic acid

Systemtic Name: 3-(2-methyl-5-nitro-4-oxidanylidene-1H-pyrimidin-6-yl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonic acid Openeye Name: 3-(2-methyl-5-nitro-4-oxo-1H-pyrimidin-6-yl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonic acid CAS Name: 3-(2-methyl-5-nitro-4-oxo-1H-pyrimidin-6-yl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonic acid IUPAC Name: 3-(2-methyl-5-nitro-4-oxo-1H-pyrimidin-6-yl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonic acid Traditional Name: 3-(4-keto-2-methyl-5-nitro-1H-pyrimidin-6-yl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonic acid Formula: C15H16N4O6S MolecularWeight: 380.37574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N2CCC3=C(CC2)C=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O6S/c1-9-16-14(13(19(21)22)15(20)17-9)18-6-4-10-2-3-12(26(23,24)25)8-11(10)5-7-18/h2-3,8H,4-7H2,1H3,(H,16,17,20)(H,23,24,25)