4-[4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]benzenesulfonic acid Openeye Name: 4-[4-(2-amino-4-methyl-thiazol-5-yl)pyrimidin-2-yl]benzenesulfonic acid CAS Name: 4-[4-(2-amino-4-methyl-5-thiazolyl)-2-pyrimidinyl]benzenesulfonic acid IUPAC Name: 4-[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]benzenesulfonic acid Traditional Name: 4-[4-(2-amino-4-methyl-thiazol-5-yl)pyrimidin-2-yl]besylic acid Formula: C14H12N4O3S2 MolecularWeight: 348.40008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)C2=NC(=NC=C2)C3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N)C2=NC(=NC=C2)C3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H12N4O3S2/c1-8-12(22-14(15)17-8)11-6-7-16-13(18-11)9-2-4-10(5-3-9)23(19,20)21/h2-7H,1H3,(H2,15,17)(H,19,20,21)