9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one

Systemtic Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one Openeye Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one CAS Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one IUPAC Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one Traditional Name: 9-[4-[bis(2-chloroethyl)amino]phenyl]-3H-purin-6-one Formula: C15H15Cl2N5O MolecularWeight: 352.2185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N2C=NC3=C2NC=NC3=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1N2C=NC3=C2NC=NC3=O)N(CCCl)CCCl

InChI

InChI=1S/C15H15Cl2N5O/c16-5-7-21(8-6-17)11-1-3-12(4-2-11)22-10-20-13-14(22)18-9-19-15(13)23/h1-4,9-10H,5-8H2,(H,18,19,23)