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

Systemtic Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 2-[(4-chlorophenyl)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(4-chlorobenzyl)-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C15H10ClN2O3S- MolecularWeight: 333.7695

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C15H11ClN2O3S/c1-7-11-13(19)17-10(6-8-2-4-9(16)5-3-8)18-14(11)22-12(7)15(20)21/h2-5H,6H2,1H3,(H,20,21)(H,17,18,19)/p-1