4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Systemtic Name: 4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Openeye Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide CAS Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)azo]-N-(4-methyl-2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Traditional Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide Formula: C16H14N10O2S2 MolecularWeight: 442.47816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=NC4C(=N3)NC(=NC4=S)N

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=NC4C(=N3)NC(=NC4=S)N

InChI

InChI=1S/C16H14N10O2S2/c1-8-6-7-18-15(19-8)26-30(27,28)10-4-2-9(3-5-10)24-25-16-20-11-12(22-16)21-14(17)23-13(11)29/h2-7,11H,1H3,(H,18,19,26)(H3,17,20,21,22,23,29)