3-[7,8,10-trimethyl-2,4-bis(oxidanylidene)-1,5-dihydrobenzo[g]pteridin-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[7,8,10-trimethyl-2,4-bis(oxidanylidene)-1,5-dihydrobenzo[g]pteridin-3-yl]propane-1-sulfonic acid Openeye Name: 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid CAS Name: 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)-1-propanesulfonic acid IUPAC Name: 3-(7,8,10-trimethyl-2,4-dioxo-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid Traditional Name: 3-(2,4-diketo-7,8,10-trimethyl-1,5-dihydrobenzo[g]pteridin-3-yl)propane-1-sulfonic acid Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)N(C(=O)N3)CCCS(=O)(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=C(N2)C(=O)N(C(=O)N3)CCCS(=O)(=O)O)C

InChI

InChI=1S/C16H20N4O5S/c1-9-7-11-12(8-10(9)2)19(3)14-13(17-11)15(21)20(16(22)18-14)5-4-6-26(23,24)25/h7-8,17H,4-6H2,1-3H3,(H,18,22)(H,23,24,25)