7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2R,3S,4S)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridine-5-sulfonic acid

Systemtic Name: 7,8-dimethyl-2,4-bis(oxidanylidene)-10-[(2R,3S,4S)-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl]-1H-benzo[g]pteridine-5-sulfonic acid Openeye Name: 7,8-dimethyl-2,4-dioxo-10-[(2R,3S,4S)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]-1H-benzo[g]pteridine-5-sulfonic acid CAS Name: 7,8-dimethyl-2,4-dioxo-10-[(2R,3S,4S)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid IUPAC Name: 7,8-dimethyl-2,4-dioxo-10-[(2R,3S,4S)-2,3,4-trihydroxy-5-phosphonooxypentyl]-1H-benzo[g]pteridine-5-sulfonic acid Traditional Name: 2,4-diketo-7,8-dimethyl-10-[(2R,3S,4S)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]-1H-benzo[g]pteridine-5-sulfonic acid Formula: C17H23N4O12PS MolecularWeight: 538.422881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=C(N2CC(C(C(COP(=O)(O)O)O)O)O)NC(=O)NC3=O)S(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=C(N2C[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)NC(=O)NC3=O)S(=O)(=O)O

InChI

InChI=1S/C17H23N4O12PS/c1-7-3-9-10(4-8(7)2)21(35(30,31)32)13-15(18-17(26)19-16(13)25)20(9)5-11(22)14(24)12(23)6-33-34(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H,30,31,32)(H2,18,19,25,26)/t11-,12+,14+/m1/s1