ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C=C3Cl)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC4=C(C=C3Cl)OCO4)C

InChI

InChI=1S/C18H15ClN2O5S/c1-3-24-18(23)15-9(2)14-16(27-15)20-7-21(17(14)22)6-10-4-12-13(5-11(10)19)26-8-25-12/h4-5,7H,3,6,8H2,1-2H3