ethyl 2-[6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-2-oxidanylidene-3H-purin-9-yl]ethanoate

Systemtic Name: ethyl 2-[6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-2-oxidanylidene-3H-purin-9-yl]ethanoate Openeye Name: ethyl 2-[6-[(2-methyl-3-nitro-phenyl)methylsulfanyl]-2-oxo-3H-purin-9-yl]acetate CAS Name: 2-[6-[(2-methyl-3-nitrophenyl)methylthio]-2-oxo-3H-purin-9-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-[(2-methyl-3-nitrophenyl)methylsulfanyl]-2-oxo-3H-purin-9-yl]acetate Traditional Name: 2-[2-keto-6-[(2-methyl-3-nitro-benzyl)thio]-3H-purin-9-yl]acetic acid ethyl ester Formula: C17H17N5O5S MolecularWeight: 403.41238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)CN1C=NC2=C1NC(=O)N=C2SCC3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N5O5S/c1-3-27-13(23)7-21-9-18-14-15(21)19-17(24)20-16(14)28-8-11-5-4-6-12(10(11)2)22(25)26/h4-6,9H,3,7-8H2,1-2H3,(H,19,20,24)