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

Systemtic Name: ethyl 4-oxidanylidene-2-(piperazin-1-ylmethyl)-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-isopropyl-4-oxo-2-(piperazin-1-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-oxo-2-(1-piperazinylmethyl)-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 4-oxo-2-(piperazin-1-ylmethyl)-5-propan-2-yl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-isopropyl-4-keto-2-(piperazinomethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H24N4O3S MolecularWeight: 364.46246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCNCC3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CN3CCNCC3)C(C)C

InChI

InChI=1S/C17H24N4O3S/c1-4-24-17(23)14-12(10(2)3)13-15(22)19-11(20-16(13)25-14)9-21-7-5-18-6-8-21/h10,18H,4-9H2,1-3H3,(H,19,20,22)