phenethyl 2-[5-(2,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: phenethyl 2-[5-(2,4-dimethylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: phenethyl 2-[5-(2,4-dimethylphenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(2,4-dimethylphenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[5-(2,4-dimethylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(2,4-dimethylphenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid phenethyl ester Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C24H22N2O3S/c1-16-8-9-19(17(2)12-16)20-14-30-23-22(20)24(28)26(15-25-23)13-21(27)29-11-10-18-6-4-3-5-7-18/h3-9,12,14-15H,10-11,13H2,1-2H3