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

Systemtic Name: ethyl 2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-4-oxidanylidene-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-ethoxycarbonyl-1-piperidyl)methyl]-5-isopropyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperidinyl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperidino)methyl]-5-isopropyl-4-keto-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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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)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-5-28-20(26)13-7-9-24(10-8-13)11-14-22-18(25)16-15(12(3)4)17(21(27)29-6-2)30-19(16)23-14/h12-13H,5-11H2,1-4H3,(H,22,23,25)