4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]benzoic acid hydrochloride

Systemtic Name: 4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]benzoic acid hydrochloride Openeye Name: 4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]benzoic acid hydrochloride CAS Name: 4-[[4-[(3-methoxyphenyl)thio]-2-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]benzoic acid hydrochloride Traditional Name: 4-[[4-[(3-methoxyphenyl)thio]pyrimidin-2-yl]amino]benzoic acid hydrochloride Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

COC1=CC(=CC=C1)SC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

InChI=1S/C18H15N3O3S.ClH/c1-24-14-3-2-4-15(11-14)25-16-9-10-19-18(21-16)20-13-7-5-12(6-8-13)17(22)23;/h2-11H,1H3,(H,22,23)(H,19,20,21);1H