N-[3-(6-aminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide

Systemtic Name: N-[3-(6-aminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide Openeye Name: N-[3-(6-aminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide CAS Name: N-[3-(6-aminopurin-9-yl)propyl]-2-[(methylsulfonylthio)methyl]-3-thiophenecarbothioamide IUPAC Name: N-[3-(6-aminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide Traditional Name: N-(3-adenin-9-ylpropyl)-2-[(mesylthio)methyl]thiophene-3-carbothioamide Formula: C15H18N6O2S4 MolecularWeight: 442.60242

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCC1=C(C=CS1)C(=S)NCCCN2C=NC3=C2N=CN=C3N

Isomeric SMILES

CS(=O)(=O)SCC1=C(C=CS1)C(=S)NCCCN2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C15H18N6O2S4/c1-27(22,23)26-7-11-10(3-6-25-11)15(24)17-4-2-5-21-9-20-12-13(16)18-8-19-14(12)21/h3,6,8-9H,2,4-5,7H2,1H3,(H,17,24)(H2,16,18,19)