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

Systemtic Name: dimethyl 5-azanyl-3-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C15H13N3O4S3 MolecularWeight: 395.47642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=CS3)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC2=NC=NC3=C2C=CS3)C(=O)OC)N

InChI

InChI=1S/C15H13N3O4S3/c1-21-14(19)9-8(10(15(20)22-2)25-11(9)16)5-24-13-7-3-4-23-12(7)17-6-18-13/h3-4,6H,5,16H2,1-2H3