8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one

Systemtic Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one Openeye Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one CAS Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one IUPAC Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one Traditional Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one Formula: C15H15Cl2N5O MolecularWeight: 352.2185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)N=CN3)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C(=O)N=CN3)N(CCCl)CCCl

InChI

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