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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CSC=C2)NC3=CC=C(C=C3)C(=O)O)CC=C

InChI

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