8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-3,7-dimethyl-xanthine Formula: C17H19Cl2N5O2 MolecularWeight: 396.27106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)N(CCCl)CCCl)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)N(CCCl)CCCl)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H19Cl2N5O2/c1-22-13-15(23(2)17(26)21-16(13)25)20-14(22)11-3-5-12(6-4-11)24(9-7-18)10-8-19/h3-6H,7-10H2,1-2H3,(H,21,25,26)