[5-[2,6-bis(azanyl)-8-methyl-7H-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

Systemtic Name: [5-[2,6-bis(azanyl)-8-methyl-7H-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Openeye Name: [5-(2,6-diamino-8-methyl-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate CAS Name: [5-(2,6-diamino-8-methyl-7H-purin-9-ium-9-yl)-3,4-dihydroxy-2-oxolanyl]methyl hydrogen phosphate IUPAC Name: [5-(2,6-diamino-8-methyl-7H-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate Traditional Name: [5-(2,6-diamino-8-methyl-7H-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate Formula: C11H17N6O7P MolecularWeight: 376.262441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1)C(=NC(=N2)N)N)C3C(C(C(O3)COP(=O)(O)[O-])O)O

Isomeric SMILES

CC1=[N+](C2=C(N1)C(=NC(=N2)N)N)C3C(C(C(O3)COP(=O)(O)[O-])O)O

InChI

InChI=1S/C11H17N6O7P/c1-3-14-5-8(12)15-11(13)16-9(5)17(3)10-7(19)6(18)4(24-10)2-23-25(20,21)22/h4,6-7,10,18-19H,2H2,1H3,(H6,12,13,15,16,20,21,22)