4-[2-(2-azanyl-6-oxidanylidene-purin-8-yl)hydrazinyl]-N,N-bis(2-chloroethyl)benzenesulfonamide

Systemtic Name: 4-[2-(2-azanyl-6-oxidanylidene-purin-8-yl)hydrazinyl]-N,N-bis(2-chloroethyl)benzenesulfonamide Openeye Name: 4-[2-(2-amino-6-oxo-purin-8-yl)hydrazino]-N,N-bis(2-chloroethyl)benzenesulfonamide CAS Name: 4-[(2-amino-6-oxo-8-purinyl)hydrazo]-N,N-bis(2-chloroethyl)benzenesulfonamide IUPAC Name: 4-[2-(2-amino-6-oxopurin-8-yl)hydrazinyl]-N,N-bis(2-chloroethyl)benzenesulfonamide Traditional Name: 4-[N'-(2-amino-6-keto-purin-8-yl)hydrazino]-N,N-bis(2-chloroethyl)benzenesulfonamide Formula: C15H16Cl2N8O3S MolecularWeight: 459.31034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NNC2=NC3=NC(=NC(=O)C3=N2)N)S(=O)(=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1NNC2=NC3=NC(=NC(=O)C3=N2)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/h1-4,23H,5-8H2,(H3,18,20,21,22,24,26)