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

Systemtic Name: phenethyl 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(2,4-dichlorobenzyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C23H18Cl2N2O3S MolecularWeight: 473.37162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=C(C=C(C=C3)Cl)Cl)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H18Cl2N2O3S/c1-13-19-21(28)26-18(11-15-7-8-16(24)12-17(15)25)27-22(19)31-20(13)23(29)30-10-9-14-5-3-2-4-6-14/h2-8,12H,9-11H2,1H3,(H,26,27,28)