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

Systemtic Name: 3-[2-[(3-aminocarbonyl-5-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 3-[2-[(3-carbamoyl-5-phenyl-2-thienyl)amino]-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 3-[2-[(3-carbamoyl-5-phenyl-2-thiophenyl)amino]-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-[2-[(3-carbamoyl-5-phenylthiophen-2-yl)amino]-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 3-[2-[(3-carbamoyl-5-phenyl-2-thienyl)amino]-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H16N4O5S2 MolecularWeight: 468.50554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N)C(=O)O

InChI

InChI=1S/C21H16N4O5S2/c1-10-15-19(32-16(10)21(29)30)23-9-25(20(15)28)8-14(26)24-18-12(17(22)27)7-13(31-18)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3,(H2,22,27)(H,24,26)(H,29,30)