4-[(6-methyl-5-prop-2-enyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(6-methyl-5-prop-2-enyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[5-allyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-methyl-5-prop-2-enyl-2-(3-thiophenyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(6-methyl-5-prop-2-enyl-2-thiophen-3-ylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[5-allyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]benzoic acid Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C

InChI

InChI=1S/C19H17N3O2S/c1-3-4-16-12(2)20-17(14-9-10-25-11-14)22-18(16)21-15-7-5-13(6-8-15)19(23)24/h3,5-11H,1,4H2,2H3,(H,23,24)(H,20,21,22)