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

Systemtic Name: 2-phenoxyethyl 5-methyl-3-[(3-methylphenyl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 5-methyl-3-(m-tolylmethyl)-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[(3-methylphenyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 5-methyl-3-[(3-methylphenyl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-methylbenzyl)thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCOC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O4S/c1-16-7-6-8-18(13-16)14-26-15-25-22-20(23(26)27)17(2)21(31-22)24(28)30-12-11-29-19-9-4-3-5-10-19/h3-10,13,15H,11-12,14H2,1-2H3