4-[5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanylidene-pyrazine-2-carboxamide diphosphate

Systemtic Name: 4-[5-methyl-3,4-bis(oxidanyl)oxolan-2-yl]-3-oxidanylidene-pyrazine-2-carboxamide diphosphate Openeye Name: 4-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-3-oxo-pyrazine-2-carboxamide diphosphate CAS Name: 4-(3,4-dihydroxy-5-methyl-2-oxolanyl)-3-oxo-2-pyrazinecarboxamide diphosphate IUPAC Name: 4-(3,4-dihydroxy-5-methyloxolan-2-yl)-3-oxopyrazine-2-carboxamide diphosphate Traditional Name: 4-(3,4-dihydroxy-5-methyl-tetrahydrofuran-2-yl)-3-keto-pyrazinamide diphosphate Formula: C10H13N3O13P2-6 MolecularWeight: 445.170042

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=CN=C(C2=O)C(=O)N)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

Isomeric SMILES

CC1C(C(C(O1)N2C=CN=C(C2=O)C(=O)N)O)O.[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C10H13N3O5.2H3O4P/c1-4-6(14)7(15)10(18-4)13-3-2-12-5(8(11)16)9(13)17;2*1-5(2,3)4/h2-4,6-7,10,14-15H,1H3,(H2,11,16);2*(H3,1,2,3,4)/p-6