2-[4-[[2-(5-chloranylthiophen-2-yl)-6-methyl-5-prop-2-enyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[[2-(5-chloranylthiophen-2-yl)-6-methyl-5-prop-2-enyl-pyrimidin-4-yl]amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-allyl-2-(5-chloro-2-thienyl)-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[2-(5-chloro-2-thiophenyl)-6-methyl-5-prop-2-enyl-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[[2-(5-chlorothiophen-2-yl)-6-methyl-5-prop-2-enylpyrimidin-4-yl]amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-allyl-2-(5-chloro-2-thienyl)-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=C(S2)Cl)NC3=CC=C(C=C3)CC(=O)O)CC=C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=C(S2)Cl)NC3=CC=C(C=C3)CC(=O)O)CC=C

InChI

InChI=1S/C20H18ClN3O2S/c1-3-4-15-12(2)22-20(16-9-10-17(21)27-16)24-19(15)23-14-7-5-13(6-8-14)11-18(25)26/h3,5-10H,1,4,11H2,2H3,(H,25,26)(H,22,23,24)