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

Systemtic Name: 4-[cyclohexyl(methyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Openeye Name: 4-[cyclohexyl(methyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid CAS Name: 4-[cyclohexyl(methyl)amino]-5-methyl-2-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid IUPAC Name: 4-[cyclohexyl(methyl)amino]-5-methyl-2-phenylthieno[2,3-d]pyrimidine-6-carboxylic acid Traditional Name: 4-[cyclohexyl(methyl)amino]-5-methyl-2-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N(C)C3CCCCC3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N(C)C3CCCCC3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H23N3O2S/c1-13-16-19(24(2)15-11-7-4-8-12-15)22-18(14-9-5-3-6-10-14)23-20(16)27-17(13)21(25)26/h3,5-6,9-10,15H,4,7-8,11-12H2,1-2H3,(H,25,26)