2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate; oxidanyl(oxidanylidene)molybdenum

Systemtic Name: 2-azanyl-4-oxidanylidene-8-(phosphonooxymethyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate; oxidanyl(oxidanylidene)molybdenum Openeye Name: 2-amino-4-oxo-8-(phosphonooxymethyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate; hydroxy(oxo)molybdenum CAS Name: 2-amino-4-oxo-8-(phosphonooxymethyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate; hydroxy(oxo)molybdenum IUPAC Name: 2-amino-4-oxo-8-(phosphonooxymethyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate; hydroxy(oxo)molybdenum Traditional Name: 2-amino-4-keto-8-(phosphonooxymethyl)-1,5,5a,8,9a,10-hexahydropyrano[3,2-g]pteridine-6,7-dithiolate; hydroxy(keto)molybdenum Formula: C10H13MoN5O8PS2-2 MolecularWeight: 522.282681

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)[S-])[S-])OP(=O)(O)O.O[Mo]=O

Isomeric SMILES

C(C1C(=C(C2C(O1)NC3=C(N2)C(=O)N=C(N3)N)[S-])[S-])OP(=O)(O)O.O[Mo]=O

InChI

InChI=1S/C10H14N5O6PS2.Mo.H2O.O/c11-10-14-7-4(8(16)15-10)12-3-6(24)5(23)2(21-9(3)13-7)1-20-22(17,18)19;;;/h2-3,9,12,23-24H,1H2,(H2,17,18,19)(H4,11,13,14,15,16);;1H2;/q;+1;;/p-3