ethyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(6-azanyl-7H-purin-8-yl)sulfanyl]ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-[(6-amino-7H-purin-8-yl)thio]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-[(6-amino-7H-purin-8-yl)thio]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H18N6O4S2 MolecularWeight: 434.49262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C17H18N6O4S2/c1-4-27-16(26)10-7(2)12(8(3)24)29-15(10)21-9(25)5-28-17-22-11-13(18)19-6-20-14(11)23-17/h6H,4-5H2,1-3H3,(H,21,25)(H3,18,19,20,22,23)