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

Systemtic Name: 4-[[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]diazenyl]benzenesulfonic acid Openeye Name: 4-(2,4-diamino-6-methyl-pyrimidin-5-yl)azobenzenesulfonic acid CAS Name: 4-[(2,4-diamino-6-methyl-5-pyrimidinyl)azo]benzenesulfonic acid IUPAC Name: 4-[(2,4-diamino-6-methylpyrimidin-5-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-(2,4-diamino-6-methyl-pyrimidin-5-yl)azobesylic acid Formula: C11H12N6O3S MolecularWeight: 308.31638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N6O3S/c1-6-9(10(12)15-11(13)14-6)17-16-7-2-4-8(5-3-7)21(18,19)20/h2-5H,1H3,(H,18,19,20)(H4,12,13,14,15)