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

Systemtic Name: phenethyl 5-methyl-3-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: phenethyl 3-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-methyl-3-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(2-isopropyl-6-methyl-anilino)-2-keto-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:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OCCC4=CC=CC=C4)C

InChI

InChI=1S/C28H29N3O4S/c1-17(2)21-12-8-9-18(3)24(21)30-22(32)15-31-16-29-26-23(27(31)33)19(4)25(36-26)28(34)35-14-13-20-10-6-5-7-11-20/h5-12,16-17H,13-15H2,1-4H3,(H,30,32)