4-[[4-aminocarbonyl-2-(oxan-4-yloxy)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid

Systemtic Name: 4-[[4-aminocarbonyl-2-(oxan-4-yloxy)phenyl]amino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-(4-carbamoyl-2-tetrahydropyran-4-yloxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[4-carbamoyl-2-(4-oxanyloxy)anilino]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[4-carbamoyl-2-(oxan-4-yloxy)anilino]-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-(4-carbamoyl-2-tetrahydropyran-4-yloxy-anilino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C=C3)C(=O)N)OC4CCOCC4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NC3=C(C=C(C=C3)C(=O)N)OC4CCOCC4)C(=O)O

InChI

InChI=1S/C20H20N4O5S/c1-10-15-18(22-9-23-19(15)30-16(10)20(26)27)24-13-3-2-11(17(21)25)8-14(13)29-12-4-6-28-7-5-12/h2-3,8-9,12H,4-7H2,1H3,(H2,21,25)(H,26,27)(H,22,23,24)