N-[3-(6-azanyl-2-methyl-purin-9-yl)propyl]-2-(methoxysulfonothioylmethyl)thiophene-3-carboxamide

Systemtic Name: N-[3-(6-azanyl-2-methyl-purin-9-yl)propyl]-2-(methoxysulfonothioylmethyl)thiophene-3-carboxamide Openeye Name: N-[3-(6-amino-2-methyl-purin-9-yl)propyl]-2-(methoxysulfonothioylmethyl)thiophene-3-carboxamide CAS Name: N-[3-(6-amino-2-methyl-9-purinyl)propyl]-2-(methoxysulfonothioylmethyl)-3-thiophenecarboxamide IUPAC Name: N-[3-(6-amino-2-methylpurin-9-yl)propyl]-2-(methoxysulfonothioylmethyl)thiophene-3-carboxamide Traditional Name: N-[3-(6-amino-2-methyl-purin-9-yl)propyl]-2-(methoxysulfonothioylmethyl)thiophene-3-carboxamide Formula: C16H20N6O3S3 MolecularWeight: 440.5634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)N=CN2CCCNC(=O)C3=C(SC=C3)CS(=O)(=S)OC

Isomeric SMILES

CC1=NC2=C(C(=N1)N)N=CN2CCCNC(=O)C3=C(SC=C3)CS(=O)(=S)OC

InChI

InChI=1S/C16H20N6O3S3/c1-10-20-14(17)13-15(21-10)22(9-19-13)6-3-5-18-16(23)11-4-7-27-12(11)8-28(24,26)25-2/h4,7,9H,3,5-6,8H2,1-2H3,(H,18,23)(H2,17,20,21)