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

Systemtic Name: ethyl 2-[(4-ethanoylpiperazin-1-yl)methyl]-4-oxidanylidene-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(4-acetylpiperazin-1-yl)methyl]-5-isopropyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-acetyl-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-acetylpiperazin-1-yl)methyl]-4-oxo-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(4-acetylpiperazino)methyl]-5-isopropyl-4-keto-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCN(CC3)C(=O)C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCN(CC3)C(=O)C)C(C)C

InChI

InChI=1S/C19H26N4O4S/c1-5-27-19(26)16-14(11(2)3)15-17(25)20-13(21-18(15)28-16)10-22-6-8-23(9-7-22)12(4)24/h11H,5-10H2,1-4H3,(H,20,21,25)