2-phenoxyethyl 3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 3-[2-(4-tert-butylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(4-tert-butylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-[2-(4-tert-butylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(4-tert-butylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C28H29N3O5S MolecularWeight: 519.61196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(C)(C)C)C(=O)OCCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(C)(C)C)C(=O)OCCOC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5S/c1-18-23-25(37-24(18)27(34)36-15-14-35-21-8-6-5-7-9-21)29-17-31(26(23)33)16-22(32)30-20-12-10-19(11-13-20)28(2,3)4/h5-13,17H,14-16H2,1-4H3,(H,30,32)