phenethyl 3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: phenethyl 3-[1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 3-[1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid phenethyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)N2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C)C

InChI

InChI=1S/C28H29N3O4S/c1-5-21-13-9-10-17(2)23(21)30-25(32)19(4)31-16-29-26-22(27(31)33)18(3)24(36-26)28(34)35-15-14-20-11-7-6-8-12-20/h6-13,16,19H,5,14-15H2,1-4H3,(H,30,32)