4-[(6-azanyl-5H-purin-8-yl)diazenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide

Systemtic Name: 4-[(6-azanyl-5H-purin-8-yl)diazenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide Openeye Name: 4-[(6-amino-5H-purin-8-yl)azo]-N,N-bis(2-chloroethyl)benzenesulfonamide CAS Name: 4-[(6-amino-5H-purin-8-yl)azo]-N,N-bis(2-chloroethyl)benzenesulfonamide IUPAC Name: 4-[(6-amino-5H-purin-8-yl)diazenyl]-N,N-bis(2-chloroethyl)benzenesulfonamide Traditional Name: 4-[(6-amino-5H-purin-8-yl)azo]-N,N-bis(2-chloroethyl)benzenesulfonamide Formula: C15H16Cl2N8O2S MolecularWeight: 443.31094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16Cl2N8O2S/c16-5-7-25(8-6-17)28(26,27)11-3-1-10(2-4-11)23-24-15-21-12-13(18)19-9-20-14(12)22-15/h1-4,9,12H,5-8H2,(H2,18,19,20,21,22)