8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[4-(5-chloro-2-methyl-phenyl)piperazino]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C18H21ClN6O2 MolecularWeight: 388.85134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C18H21ClN6O2/c1-11-4-5-12(19)10-13(11)24-6-8-25(9-7-24)17-20-14-15(21-17)22(2)18(27)23(3)16(14)26/h4-5,10H,6-9H2,1-3H3,(H,20,21)