4-methyl-3-[2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]benzoic acid

Systemtic Name: 4-methyl-3-[2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]benzoic acid Openeye Name: 4-methyl-3-[2-(2-morpholinoethylamino)thieno[2,3-d]pyrimidin-6-yl]benzoic acid CAS Name: 4-methyl-3-[2-[2-(4-morpholinyl)ethylamino]-6-thieno[2,3-d]pyrimidinyl]benzoic acid IUPAC Name: 4-methyl-3-[2-(2-morpholin-4-ylethylamino)thieno[2,3-d]pyrimidin-6-yl]benzoic acid Traditional Name: 4-methyl-3-[2-(2-morpholinoethylamino)thieno[2,3-d]pyrimidin-6-yl]benzoic acid Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=C(N=C3S2)NCCN4CCOCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)C2=CC3=CN=C(N=C3S2)NCCN4CCOCC4

InChI

InChI=1S/C20H22N4O3S/c1-13-2-3-14(19(25)26)10-16(13)17-11-15-12-22-20(23-18(15)28-17)21-4-5-24-6-8-27-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,25,26)(H,21,22,23)