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

Systemtic Name: phenethyl 5-methyl-4-oxidanylidene-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 5-methyl-4-oxo-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-[(3-phenoxyphenyl)methyl]-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-4-oxo-3-[(3-phenoxyphenyl)methyl]thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-phenoxybenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O4S/c1-20-25-27(36-26(20)29(33)34-16-15-21-9-4-2-5-10-21)30-19-31(28(25)32)18-22-11-8-14-24(17-22)35-23-12-6-3-7-13-23/h2-14,17,19H,15-16,18H2,1H3