7-methyl-8-sulfanylidene-10-[(2R,3R,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl]-1H-benzo[g]pteridine-2,4-dione

Systemtic Name: 7-methyl-8-sulfanylidene-10-[(2R,3R,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl]-1H-benzo[g]pteridine-2,4-dione Openeye Name: 7-methyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-8-thioxo-1H-benzo[g]pteridine-2,4-dione CAS Name: 7-methyl-8-sulfanylidene-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-1H-benzo[g]pteridine-2,4-dione IUPAC Name: 7-methyl-8-sulfanylidene-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-1H-benzo[g]pteridine-2,4-dione Traditional Name: 7-methyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-8-thioxo-1H-benzo[g]pteridine-2,4-quinone Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(NC(=O)NC3=O)N(C2=CC1=S)CC(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC2=NC3=C(NC(=O)NC3=O)N(C2=CC1=S)C[C@H]([C@H]([C@H](CO)O)O)O

InChI

InChI=1S/C16H18N4O6S/c1-6-2-7-8(3-11(6)27)20(4-9(22)13(24)10(23)5-21)14-12(17-7)15(25)19-16(26)18-14/h2-3,9-10,13,21-24H,4-5H2,1H3,(H2,18,19,25,26)/t9-,10+,13-/m1/s1