dimethyl 5-[2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16N4O5S3 MolecularWeight: 452.52774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=C3C=CSC3=N2)N)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC2=NC(=C3C=CSC3=N2)N)C(=O)OC

InChI

InChI=1S/C17H16N4O5S3/c1-7-10(15(23)25-2)14(29-11(7)16(24)26-3)19-9(22)6-28-17-20-12(18)8-4-5-27-13(8)21-17/h4-5H,6H2,1-3H3,(H,19,22)(H2,18,20,21)