1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxymethylsulfanyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(4-azanyl-5-methyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxymethylsulfanyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxymethylsulfanyl]-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-3-hydroxy-2-oxolanyl]methoxymethylthio]-5-(hydroxymethyl)-2-oxolanyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxymethylsulfanyl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[(2R,4S,5R)-4-[[(2R,3S,5R)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxymethylthio]-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone Formula: C21H29N5O8S MolecularWeight: 511.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)SCOCC3C(CC(O3)N4C=C(C(=NC4=O)N)C)O

Isomeric SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)SCOC[C@@H]3[C@H](C[C@@H](O3)N4C=C(C(=NC4=O)N)C)O

InChI

InChI=1S/C21H29N5O8S/c1-10-5-25(20(30)23-18(10)22)16-3-12(28)14(34-16)8-32-9-35-15-4-17(33-13(15)7-27)26-6-11(2)19(29)24-21(26)31/h5-6,12-17,27-28H,3-4,7-9H2,1-2H3,(H2,22,23,30)(H,24,29,31)/t12-,13+,14+,15-,16+,17+/m0/s1