sodium 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridin-3-ide-2,4-dione

Systemtic Name: sodium 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridin-3-ide-2,4-dione Openeye Name: sodium 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-ide-2,4-dione CAS Name: sodium 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-ide-2,4-dione IUPAC Name: sodium 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-ide-2,4-dione Traditional Name: sodium 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-ide-2,4-quinone Formula: C17H19N4NaO6 MolecularWeight: 398.34573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C3=NC(=O)[N-]C(=O)C3=N2)CC(C(C(CO)O)O)O.[Na+]

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C3=NC(=O)[N-]C(=O)C3=N2)C[C@H]([C@H]([C@H](CO)O)O)O.[Na+]

InChI

InChI=1S/C17H20N4O6.Na/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);/q;+1/p-1/t11-,12+,14-;/m1./s1