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

Systemtic Name: 4-[[4-(2-azanyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid Openeye Name: 4-[[4-(2-amino-4-methyl-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid CAS Name: 4-[[4-(2-amino-4-methyl-5-thiazolyl)-2-pyrimidinyl]amino]benzenesulfonic acid IUPAC Name: 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]benzenesulfonic acid Traditional Name: 4-[[4-(2-amino-4-methyl-thiazol-5-yl)pyrimidin-2-yl]amino]besylic acid Formula: C14H13N5O3S2 MolecularWeight: 363.41472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)O

InChI

InChI=1S/C14H13N5O3S2/c1-8-12(23-13(15)17-8)11-6-7-16-14(19-11)18-9-2-4-10(5-3-9)24(20,21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)(H,20,21,22)