N-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide

Systemtic Name: N-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide Openeye Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide CAS Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)propyl]-2-[(methylsulfonylthio)methyl]-3-thiophenecarbothioamide IUPAC Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide Traditional Name: N-[3-(2-amino-6-keto-3H-purin-9-yl)propyl]-2-[(mesylthio)methyl]thiophene-3-carbothioamide Formula: C15H18N6O3S4 MolecularWeight: 458.60182

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCC1=C(C=CS1)C(=S)NCCCN2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CS(=O)(=O)SCC1=C(C=CS1)C(=S)NCCCN2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C15H18N6O3S4/c1-28(23,24)27-7-10-9(3-6-26-10)14(25)17-4-2-5-21-8-18-11-12(21)19-15(16)20-13(11)22/h3,6,8H,2,4-5,7H2,1H3,(H,17,25)(H3,16,19,20,22)