[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl]-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate

Systemtic Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethyl]-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate Openeye Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate CAS Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxymethyl]-4-hydroxy-3-oxolanyl] dihydrogen phosphate IUPAC Name: [(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxymethyl]-4-hydroxyoxolan-3-yl] dihydrogen phosphate Traditional Name: [(2R,3R,4R,5R)-2-adenin-9-yl-5-[[(2R,3S,4R,5R)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] dihydrogen phosphate Formula: C19H24N7O12P MolecularWeight: 573.407321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)NC1=O)C2C(C(C(O2)COCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

Isomeric SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)(O)O)O)O)O

InChI

InChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(38-39(32,33)34)12(29)8(37-18)4-35-3-7-11(28)13(30)17(36-7)25-2-1-9(27)24-19(25)31/h1-2,5-8,11-14,17-18,28-30H,3-4H2,(H2,20,21,22)(H,24,27,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1