3-methyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid

Systemtic Name: 3-methyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid Openeye Name: 1-isobutyl-3-methyl-2,4-dioxo-6-(4-quinolylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid CAS Name: 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(4-quinolinylmethyl)-5-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 3-methyl-1-(2-methylpropyl)-2,4-dioxo-6-(quinolin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid Traditional Name: 1-isobutyl-2,4-diketo-3-methyl-6-(4-quinolylmethyl)thieno[2,3-d]pyrimidine-5-carboxylic acid Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)O)C(=O)N(C1=O)C

Isomeric SMILES

CC(C)CN1C2=C(C(=C(S2)CC3=CC=NC4=CC=CC=C34)C(=O)O)C(=O)N(C1=O)C

InChI

InChI=1S/C22H21N3O4S/c1-12(2)11-25-20-18(19(26)24(3)22(25)29)17(21(27)28)16(30-20)10-13-8-9-23-15-7-5-4-6-14(13)15/h4-9,12H,10-11H2,1-3H3,(H,27,28)