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

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

CCCCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)O)C

InChI

InChI=1S/C20H21N3O4S/c1-3-4-5-13-6-8-14(9-7-13)22-15(24)10-23-11-21-18-16(19(23)25)12(2)17(28-18)20(26)27/h6-9,11H,3-5,10H2,1-2H3,(H,22,24)(H,26,27)