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

Systemtic Name: 2-(methylsulfonylsulfanylmethyl)-N-[3-(6-oxidanylidene-3H-purin-9-yl)propyl]thiophene-3-carboxamide Openeye Name: 2-(methylsulfonylsulfanylmethyl)-N-[3-(6-oxo-3H-purin-9-yl)propyl]thiophene-3-carboxamide CAS Name: 2-[(methylsulfonylthio)methyl]-N-[3-(6-oxo-3H-purin-9-yl)propyl]-3-thiophenecarboxamide IUPAC Name: 2-(methylsulfonylsulfanylmethyl)-N-[3-(6-oxo-3H-purin-9-yl)propyl]thiophene-3-carboxamide Traditional Name: N-[3-(6-keto-3H-purin-9-yl)propyl]-2-[(mesylthio)methyl]thiophene-3-carboxamide Formula: C15H17N5O4S3 MolecularWeight: 427.52158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N5O4S3/c1-27(23,24)26-7-11-10(3-6-25-11)14(21)16-4-2-5-20-9-19-12-13(20)17-8-18-15(12)22/h3,6,8-9H,2,4-5,7H2,1H3,(H,16,21)(H,17,18,22)