4-azanyl-1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one

Systemtic Name: 4-azanyl-1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-oxidanyl-phosphinothioyl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrimidin-2-one Openeye Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-hydroxy-phosphinothioyl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one CAS Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxy-2-oxolanyl]-2-pyrimidinone IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-3,4-dihydroxyoxolan-2-yl]pyrimidin-2-one Traditional Name: 4-amino-1-[(2R,3R,4S,5R)-5-[[[(2R,3S,4R,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]oxy-hydroxy-thiophosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidin-2-one Formula: C18H25N6O11PS MolecularWeight: 564.463461

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=S)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)O)O

Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=S)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C=CC(=NC4=O)N)CO)O)O

InChI

InChI=1S/C18H25N6O11PS/c19-9-1-3-23(17(29)21-9)15-12(27)11(26)8(34-15)6-32-36(31,37)35-14-7(5-25)33-16(13(14)28)24-4-2-10(20)22-18(24)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,37)(H2,19,21,29)(H2,20,22,30)/t7-,8-,11-,12-,13-,14-,15-,16-,36?/m1/s1