dimethyl 5-azanyl-3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[(4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(4-keto-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)C(=O)OC)N

InChI

InChI=1S/C21H17N3O5S2/c1-28-20(26)14-12(16(21(27)29-2)31-17(14)22)8-24-10-23-18-15(19(24)25)13(9-30-18)11-6-4-3-5-7-11/h3-7,9-10H,8,22H2,1-2H3