prop-2-enyl 2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: prop-2-enyl 2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: allyl 2-[(4-ethoxycarbonyl-1-piperidyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperidino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid allyl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=C(S3)C(=O)OCC=C)C)C(=O)N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=NC3=C(C(=C(S3)C(=O)OCC=C)C)C(=O)N2

InChI

InChI=1S/C20H25N3O5S/c1-4-10-28-20(26)16-12(3)15-17(24)21-14(22-18(15)29-16)11-23-8-6-13(7-9-23)19(25)27-5-2/h4,13H,1,5-11H2,2-3H3,(H,21,22,24)