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

Systemtic Name: 3-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Openeye Name: 3-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid CAS Name: 3-[(6-ethyl-2-methyl-4-thieno[2,3-d]pyrimidinyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid Traditional Name: 3-[(6-ethyl-2-methyl-thieno[2,3-d]pyrimidin-4-yl)amino]-4-methyl-benzoic acid Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)C)NC3=C(C=CC(=C3)C(=O)O)C

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)C)NC3=C(C=CC(=C3)C(=O)O)C

InChI

InChI=1S/C17H17N3O2S/c1-4-12-8-13-15(18-10(3)19-16(13)23-12)20-14-7-11(17(21)22)6-5-9(14)2/h5-8H,4H2,1-3H3,(H,21,22)(H,18,19,20)