N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-2,5-diethoxyphenyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-2,5-diethoxyphenyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-2,5-diethoxy-phenyl]thiophene-2-carboxamide Formula: C22H23N7O4S2 MolecularWeight: 513.59252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CS2)OCC)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C22H23N7O4S2/c1-3-32-14-9-13(27-21(31)16-6-5-7-34-16)15(33-4-2)8-12(14)26-17(30)10-35-22-28-18-19(23)24-11-25-20(18)29-22/h5-9,11H,3-4,10H2,1-2H3,(H,26,30)(H,27,31)(H3,23,24,25,28,29)