[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)-3-phosphonooxy-oxolan-2-yl]methyl 2-methylpropanoate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3,4-bis(oxidanyl)-3-phosphonooxy-oxolan-2-yl]methyl 2-methylpropanoate Openeye Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-3-phosphonooxy-2-oxolanyl]methyl ester IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxy-3-phosphonooxyoxolan-2-yl]methyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [5-(2-amino-6-keto-3H-purin-9-yl)-3,4-dihydroxy-3-phosphonooxy-tetrahydrofuran-2-yl]methyl ester Formula: C14H20N5O10P MolecularWeight: 449.309861

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)(O)OP(=O)(O)O

Isomeric SMILES

CC(C)C(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=O)N)O)(O)OP(=O)(O)O

InChI

InChI=1S/C14H20N5O10P/c1-5(2)12(22)27-3-6-14(23,29-30(24,25)26)8(20)11(28-6)19-4-16-7-9(19)17-13(15)18-10(7)21/h4-6,8,11,20,23H,3H2,1-2H3,(H2,24,25,26)(H3,15,17,18,21)