diethyl 5-azanyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-thieno[2,3-d]pyrimidinylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(thieno[2,3-d]pyrimidin-4-ylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H17N3O4S3 MolecularWeight: 423.52958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=CS3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=CS3)C(=O)OCC)N

InChI

InChI=1S/C17H17N3O4S3/c1-3-23-16(21)11-10(12(27-13(11)18)17(22)24-4-2)7-26-15-9-5-6-25-14(9)19-8-20-15/h5-6,8H,3-4,7,18H2,1-2H3