4-[(2-azanyl-6-oxidanylidene-3,5-dihydropurin-8-yl)diazenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3,5-dihydropurin-8-yl)diazenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide Openeye Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]-N,N-bis(2-chloroethyl)benzenesulfonamide CAS Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]-N,N-bis(2-chloroethyl)benzenesulfonamide IUPAC Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)diazenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide Traditional Name: 4-[(2-amino-6-keto-3,5-dihydropurin-8-yl)azo]-N,N-bis(2-chloroethyl)benzenesulfonamide Formula: C15H16Cl2N8O3S MolecularWeight: 459.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NC2=NC3C(=N2)NC(=NC3=O)N)S(=O)(=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1N=NC2=NC3C(=N2)NC(=NC3=O)N)S(=O)(=O)N(CCCl)CCCl

InChI

InChI=1S/C15H16Cl2N8O3S/c16-5-7-25(8-6-17)29(27,28)10-3-1-9(2-4-10)23-24-15-19-11-12(21-15)20-14(18)22-13(11)26/h1-4,11H,5-8H2,(H3,18,19,20,21,22,26)