[5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-4-prop-2-enoxy-oxolan-2-yl]methyl dihydrogen phosphate

Systemtic Name: [5-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-3-oxidanyl-4-prop-2-enoxy-oxolan-2-yl]methyl dihydrogen phosphate Openeye Name: [4-allyloxy-5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate CAS Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-prop-2-enoxy-2-oxolanyl]methyl dihydrogen phosphate IUPAC Name: [5-(2-amino-6-oxo-3H-purin-9-yl)-3-hydroxy-4-prop-2-enoxyoxolan-2-yl]methyl dihydrogen phosphate Traditional Name: [4-allyloxy-5-(2-amino-6-keto-3H-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate Formula: C13H18N5O8P MolecularWeight: 403.284481

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O

Isomeric SMILES

C=CCOC1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)COP(=O)(O)O)O

InChI

InChI=1S/C13H18N5O8P/c1-2-3-24-9-8(19)6(4-25-27(21,22)23)26-12(9)18-5-15-7-10(18)16-13(14)17-11(7)20/h2,5-6,8-9,12,19H,1,3-4H2,(H2,21,22,23)(H3,14,16,17,20)