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

Systemtic Name: N-[3-[2,6-bis(azanyl)purin-9-yl]propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carboxamide Openeye Name: N-[3-(2,6-diaminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carboxamide CAS Name: N-[3-(2,6-diamino-9-purinyl)propyl]-2-[(methylsulfonylthio)methyl]-3-thiophenecarboxamide IUPAC Name: N-[3-(2,6-diaminopurin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carboxamide Traditional Name: N-[3-(2,6-diaminopurin-9-yl)propyl]-2-[(mesylthio)methyl]thiophene-3-carboxamide Formula: C15H19N7O3S3 MolecularWeight: 441.55146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N7O3S3/c1-28(24,25)27-7-10-9(3-6-26-10)14(23)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,18,23)(H4,16,17,20,21)