[(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(7H-purin-6-ylamino)propan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(7H-purin-6-ylamino)ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(7H-purin-6-ylamino)ethyl] ester Formula: C19H15N7O5S2 MolecularWeight: 485.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3=NC=NC4=C3NC=N4)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)O[C@H](C)C(=O)NC3=NC=NC4=C3NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N7O5S2/c1-9-6-32-19(24-9)33-13-4-3-11(5-12(13)26(29)30)18(28)31-10(2)17(27)25-16-14-15(21-7-20-14)22-8-23-16/h3-8,10H,1-2H3,(H2,20,21,22,23,25,27)/t10-/m1/s1