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

Systemtic Name: 3-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-(4-tert-butylanilino)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-(4-tert-butylanilino)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-(4-tert-butylanilino)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-(4-tert-butylanilino)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H21N3O4S MolecularWeight: 399.46344

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-11-15-17(28-16(11)19(26)27)21-10-23(18(15)25)9-14(24)22-13-7-5-12(6-8-13)20(2,3)4/h5-8,10H,9H2,1-4H3,(H,22,24)(H,26,27)