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

Systemtic Name: [3-oxidanyl-5-(6-oxidanylidene-3H-purin-9-yl)-4-prop-2-enoxy-oxolan-2-yl]methyl phosphono hydrogen phosphate Openeye Name: [4-allyloxy-3-hydroxy-5-(6-oxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate CAS Name: [3-hydroxy-5-(6-oxo-3H-purin-9-yl)-4-prop-2-enoxy-2-oxolanyl]methyl phosphono hydrogen phosphate IUPAC Name: [3-hydroxy-5-(6-oxo-3H-purin-9-yl)-4-prop-2-enoxyoxolan-2-yl]methyl phosphono hydrogen phosphate Traditional Name: [4-allyloxy-3-hydroxy-5-(6-keto-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate Formula: C13H18N4O11P2 MolecularWeight: 468.249742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O11P2/c1-2-3-25-10-9(18)7(4-26-30(23,24)28-29(20,21)22)27-13(10)17-6-16-8-11(17)14-5-15-12(8)19/h2,5-7,9-10,13,18H,1,3-4H2,(H,23,24)(H,14,15,19)(H2,20,21,22)