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

Systemtic Name: ethyl 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-oxidanyl-propyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxy-propyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(1,3-benzodioxol-5-ylmethoxy)-2-hydroxypropyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-hydroxy-3-piperonyloxy-propyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(COCC3=CC4=C(C=C3)OCO4)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC(COCC3=CC4=C(C=C3)OCO4)O)C

InChI

InChI=1S/C21H22N2O7S/c1-3-28-21(26)18-12(2)17-19(31-18)22-10-23(20(17)25)7-14(24)9-27-8-13-4-5-15-16(6-13)30-11-29-15/h4-6,10,14,24H,3,7-9,11H2,1-2H3