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

Systemtic Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-1-piperazinyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-carbethoxypiperazino)methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NC3=C(C(=C(S3)C(=O)OC)C)C(=O)N2

InChI

InChI=1S/C17H22N4O5S/c1-4-26-17(24)21-7-5-20(6-8-21)9-11-18-14(22)12-10(2)13(16(23)25-3)27-15(12)19-11/h4-9H2,1-3H3,(H,18,19,22)