4-[6-methyl-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[6-methyl-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid Openeye Name: 4-[6-methyl-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexanecarboxylic acid CAS Name: 4-[6-methyl-4-(phenethylamino)-2-thieno[2,3-d]pyrimidinyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[6-methyl-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexane-1-carboxylic acid Traditional Name: 4-[6-methyl-4-(phenethylamino)thieno[2,3-d]pyrimidin-2-yl]cyclohexanecarboxylic acid Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N=C(N=C2S1)C3CCC(CC3)C(=O)O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(N=C(N=C2S1)C3CCC(CC3)C(=O)O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2S/c1-14-13-18-20(23-12-11-15-5-3-2-4-6-15)24-19(25-21(18)28-14)16-7-9-17(10-8-16)22(26)27/h2-6,13,16-17H,7-12H2,1H3,(H,26,27)(H,23,24,25)