5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine-8-sulfonic acid

Systemtic Name: 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine-8-sulfonic acid Openeye Name: 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine-8-sulfonic acid CAS Name: 5-methyl-3-(4-methyl-1-piperazinyl)-8-pyridazino[3,4-b][1,4]benzoxazinesulfonic acid IUPAC Name: 5-methyl-3-(4-methylpiperazin-1-yl)pyridazino[3,4-b][1,4]benzoxazine-8-sulfonic acid Traditional Name: 5-methyl-3-(4-methylpiperazino)pyridazino[3,4-b][1,4]benzoxazine-8-sulfonic acid Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)S(=O)(=O)O)C

Isomeric SMILES

CN1CCN(CC1)C2=NN=C3C(=C2)N(C4=C(O3)C=C(C=C4)S(=O)(=O)O)C

InChI

InChI=1S/C16H19N5O4S/c1-19-5-7-21(8-6-19)15-10-13-16(18-17-15)25-14-9-11(26(22,23)24)3-4-12(14)20(13)2/h3-4,9-10H,5-8H2,1-2H3,(H,22,23,24)