4-[(2-azanyl-4,6-dimethyl-pyrimidin-5-yl)diazenyl]benzenesulfonic acid

Systemtic Name: 4-[(2-azanyl-4,6-dimethyl-pyrimidin-5-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-(2-amino-4,6-dimethyl-pyrimidin-5-yl)azobenzenesulfonic acid CAS Name: 4-[(2-amino-4,6-dimethyl-5-pyrimidinyl)azo]benzenesulfonic acid IUPAC Name: 4-[(2-amino-4,6-dimethylpyrimidin-5-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-(2-amino-4,6-dimethyl-pyrimidin-5-yl)azobesylic acid Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)C)N=NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)N)C)N=NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H13N5O3S/c1-7-11(8(2)15-12(13)14-7)17-16-9-3-5-10(6-4-9)21(18,19)20/h3-6H,1-2H3,(H2,13,14,15)(H,18,19,20)