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

Systemtic Name: 2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 3-[(2-chlorophenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(2-chlorobenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-methylbutyl ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)COC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCC(C)COC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C20H21ClN2O3S/c1-4-12(2)10-26-20(25)17-13(3)16-18(27-17)22-11-23(19(16)24)9-14-7-5-6-8-15(14)21/h5-8,11-12H,4,9-10H2,1-3H3