phenethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-(2-oxidanylidenepropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-acetonyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(2-oxopropyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-(2-oxopropyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-acetonyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)C)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-12(22)10-21-11-20-17-15(18(21)23)13(2)16(26-17)19(24)25-9-8-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3