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

Systemtic Name: 2-[4-[(6-methyl-5-prop-2-enyl-2-thiophen-3-yl-pyrimidin-4-yl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[[5-allyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid CAS Name: 2-[4-[[6-methyl-5-prop-2-enyl-2-(3-thiophenyl)-4-pyrimidinyl]amino]phenyl]acetic acid IUPAC Name: 2-[4-[(6-methyl-5-prop-2-enyl-2-thiophen-3-ylpyrimidin-4-yl)amino]phenyl]acetic acid Traditional Name: 2-[4-[[5-allyl-6-methyl-2-(3-thienyl)pyrimidin-4-yl]amino]phenyl]acetic acid Formula: C20H19N3O2S MolecularWeight: 365.44876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O2S/c1-3-4-17-13(2)21-19(15-9-10-26-12-15)23-20(17)22-16-7-5-14(6-8-16)11-18(24)25/h3,5-10,12H,1,4,11H2,2H3,(H,24,25)(H,21,22,23)