8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-[bis(2-chloroethyl)amino]phenyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C17H19Cl2N5O2 MolecularWeight: 396.27106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)N(CCCl)CCCl

InChI

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