[(Z)-[(9aR)-2-azanyl-4-oxidanylidene-7-sulfanyl-6-sulfanylidene-9a,10-dihydro-1H-pyrano[3,2-g]pteridin-8-ylidene]methyl] dihydrogen phosphate

Systemtic Name: [(Z)-[(9aR)-2-azanyl-4-oxidanylidene-7-sulfanyl-6-sulfanylidene-9a,10-dihydro-1H-pyrano[3,2-g]pteridin-8-ylidene]methyl] dihydrogen phosphate Openeye Name: [(Z)-[(9aR)-2-amino-4-oxo-7-sulfanyl-6-thioxo-9a,10-dihydro-1H-pyrano[3,2-g]pteridin-8-ylidene]methyl] dihydrogen phosphate CAS Name: [(Z)-[(9aR)-2-amino-7-mercapto-4-oxo-6-sulfanylidene-9a,10-dihydro-1H-pyrano[3,2-g]pteridin-8-ylidene]methyl] dihydrogen phosphate IUPAC Name: [(Z)-[(9aR)-2-amino-4-oxo-7-sulfanyl-6-sulfanylidene-9a,10-dihydro-1H-pyrano[3,2-g]pteridin-8-ylidene]methyl] dihydrogen phosphate Traditional Name: [(Z)-[(9aR)-2-amino-4-keto-7-mercapto-6-thioxo-9a,10-dihydro-1H-pyrano[3,2-g]pteridin-8-ylidene]methyl] dihydrogen phosphate Formula: C10H10N5O6PS2 MolecularWeight: 391.320061

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Descriptors Computed from Structure

Canonical SMILES:

C(=C1C(C(=S)C2=NC3=C(NC2O1)NC(=NC3=O)N)S)OP(=O)(O)O

Isomeric SMILES

C(=C\1/C(C(=S)C2=NC3=C(N[C@@H]2O1)NC(=NC3=O)N)S)\OP(=O)(O)O

InChI

InChI=1S/C10H10N5O6PS2/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/h1,5,9,23H,(H2,17,18,19)(H4,11,13,14,15,16)/b2-1-/t5?,9-/m1/s1