(phenylmethyl) 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate

Systemtic Name: (phenylmethyl) 2-[5-methyl-4-oxidanylidene-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate Openeye Name: benzyl 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate CAS Name: 2-[6-[anilino(oxo)methyl]-5-methyl-4-oxo-3-thieno[2,3-d]pyrimidinyl]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-methyl-4-oxo-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butanoate Traditional Name: 2-[4-keto-5-methyl-6-(phenylcarbamoyl)thieno[2,3-d]pyrimidin-3-yl]butyric acid benzyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CCC(C(=O)OCC1=CC=CC=C1)N2C=NC3=C(C2=O)C(=C(S3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O4S/c1-3-19(25(31)32-14-17-10-6-4-7-11-17)28-15-26-23-20(24(28)30)16(2)21(33-23)22(29)27-18-12-8-5-9-13-18/h4-13,15,19H,3,14H2,1-2H3,(H,27,29)