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

Systemtic Name: N-[3-[2,6-bis(azanyl)purin-9-yl]propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide Openeye Name: N-[3-(2,6-diaminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide CAS Name: N-[3-(2,6-diamino-9-purinyl)propyl]-2-[(methylsulfonylthio)methyl]-3-thiophenecarbothioamide IUPAC Name: N-[3-(2,6-diaminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carbothioamide Traditional Name: N-[3-(2,6-diaminopurin-9-yl)propyl]-2-[(mesylthio)methyl]thiophene-3-carbothioamide Formula: C15H19N7O2S4 MolecularWeight: 457.61706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O2S4/c1-28(23,24)27-7-10-9(3-6-26-10)14(25)18-4-2-5-22-8-19-11-12(16)20-15(17)21-13(11)22/h3,6,8H,2,4-5,7H2,1H3,(H,18,25)(H4,16,17,20,21)