[[(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; N-[4-chloranyl-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methyl-furan-3-carbothioamide

Systemtic Name: [[(2S,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; N-[4-chloranyl-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methyl-furan-3-carbothioamide Openeye Name: [[(2S,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate; N-[3-[(E)-tert-butoxyiminomethyl]-4-chloro-phenyl]-2-methyl-furan-3-carbothioamide CAS Name: [[(2S,5R)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methyl-3-furancarbothioamide IUPAC Name: [[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate; N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]-2-methylfuran-3-carbothioamide Traditional Name: [[(2S,5R)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate; N-[3-[(E)-tert-butyloximinomethyl]-4-chloro-phenyl]-2-methyl-furan-3-carbothioamide Formula: C25H33ClN5O14P3S2 MolecularWeight: 820.058903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C.C1C(OC(S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N

Isomeric SMILES

CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)/C=N/OC(C)(C)C.C1[C@@H](O[C@@H](S1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC2=O)N

InChI

InChI=1S/C17H19ClN2O2S.C8H14N3O12P3S/c1-11-14(7-8-21-11)16(23)20-13-5-6-15(18)12(9-13)10-19-22-17(2,3)4;9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h5-10H,1-4H3,(H,20,23);1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/b19-10+;/t;6-,7+/m.1/s1