2-[4-[(2,3-dimethylphenyl)amino]-6-ethoxy-pyrimidin-2-yl]ethanethioic S-acid

Systemtic Name: 2-[4-[(2,3-dimethylphenyl)amino]-6-ethoxy-pyrimidin-2-yl]ethanethioic S-acid Openeye Name: 2-[4-(2,3-dimethylanilino)-6-ethoxy-pyrimidin-2-yl]ethanethioic S-acid CAS Name: 2-[4-(2,3-dimethylanilino)-6-ethoxy-2-pyrimidinyl]ethanethioic S-acid IUPAC Name: 2-[4-(2,3-dimethylanilino)-6-ethoxypyrimidin-2-yl]ethanethioic S-acid Traditional Name: 2-[4-(2,3-dimethylanilino)-6-ethoxy-pyrimidin-2-yl]thioacetic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)NC2=CC=CC(=C2C)C)CC(=O)S

Isomeric SMILES

CCOC1=NC(=NC(=C1)NC2=CC=CC(=C2C)C)CC(=O)S

InChI

InChI=1S/C16H19N3O2S/c1-4-21-15-8-13(18-14(19-15)9-16(20)22)17-12-7-5-6-10(2)11(12)3/h5-8H,4,9H2,1-3H3,(H,20,22)(H,17,18,19)