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

Systemtic Name: ethyl 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxidanylidene-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-ethylpiperazin-1-yl)methyl]-5-isopropyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethylpiperazin-1-yl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-ethylpiperazino)methyl]-5-isopropyl-4-keto-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(C(=C(S3)C(=O)OCC)C(C)C)C(=O)N2

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(C(=C(S3)C(=O)OCC)C(C)C)C(=O)N2

InChI

InChI=1S/C19H28N4O3S/c1-5-22-7-9-23(10-8-22)11-13-20-17(24)15-14(12(3)4)16(19(25)26-6-2)27-18(15)21-13/h12H,5-11H2,1-4H3,(H,20,21,24)