[5-(2-azanyl-1-methyl-6-sulfanylidene-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [5-(2-azanyl-1-methyl-6-sulfanylidene-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [5-(2-amino-1-methyl-6-thioxo-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [5-(2-amino-1-methyl-6-sulfanylidene-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] dihydrogen phosphate IUPAC Name: [5-(2-amino-1-methyl-6-sulfanylidenepurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate Traditional Name: [5-(2-amino-1-methyl-6-thioxo-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C11H16N5O7PS MolecularWeight: 393.312801

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)O)O

Isomeric SMILES

CN1C(=S)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)O)O

InChI

InChI=1S/C11H16N5O7PS/c1-15-10(25)5-8(14-11(15)12)16(3-13-5)9-6(18)7(4(2-17)22-9)23-24(19,20)21/h3-4,6-7,9,17-18H,2H2,1H3,(H2,12,14)(H2,19,20,21)