[1-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-azanyl-5-methylsulfanyl-2-oxidanylidene-pentyl] phosphate

Systemtic Name: [1-[5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]-3-azanyl-5-methylsulfanyl-2-oxidanylidene-pentyl] phosphate Openeye Name: [3-amino-1-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-5-methylsulfanyl-2-oxo-pentyl] phosphate CAS Name: [3-amino-1-[5-(6-aminopurin-9-yl)-3,4-dihydroxy-2-oxolanyl]-5-(methylthio)-2-oxopentyl] phosphate IUPAC Name: [3-amino-1-[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-5-methylsulfanyl-2-oxopentyl] phosphate Traditional Name: [1-(5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl)-3-amino-2-keto-5-(methylthio)pentyl] phosphate Formula: C15H21N6O8PS-2 MolecularWeight: 476.401401

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OP(=O)([O-])[O-])N

Isomeric SMILES

CSCCC(C(=O)C(C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)OP(=O)([O-])[O-])N

InChI

InChI=1S/C15H23N6O8PS/c1-31-3-2-6(16)8(22)12(29-30(25,26)27)11-9(23)10(24)15(28-11)21-5-20-7-13(17)18-4-19-14(7)21/h4-6,9-12,15,23-24H,2-3,16H2,1H3,(H2,17,18,19)(H2,25,26,27)/p-2