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

Systemtic Name: N-[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carboxamide Openeye Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carboxamide CAS Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)propyl]-2-[(methylsulfonylthio)methyl]-3-thiophenecarboxamide IUPAC Name: N-[3-(2-amino-6-oxo-3H-purin-9-yl)propyl]-2-(methylsulfonylsulfanylmethyl)thiophene-3-carboxamide Traditional Name: N-[3-(2-amino-6-keto-3H-purin-9-yl)propyl]-2-[(mesylthio)methyl]thiophene-3-carboxamide Formula: C15H18N6O4S3 MolecularWeight: 442.53622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N6O4S3/c1-28(24,25)27-7-10-9(3-6-26-10)13(22)17-4-2-5-21-8-18-11-12(21)19-15(16)20-14(11)23/h3,6,8H,2,4-5,7H2,1H3,(H,17,22)(H3,16,19,20,23)