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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-oxo-3-[2-oxo-2-(1-piperidyl)ethyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-(1-piperidinyl)ethyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3-(2-keto-2-piperidino-ethyl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCC3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O4S/c1-16-19-21(31-20(16)23(29)30-13-10-17-8-4-2-5-9-17)24-15-26(22(19)28)14-18(27)25-11-6-3-7-12-25/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3