8-chloranyl-1,3-dimethyl-7-[[2-(2-methylpropylamino)phenyl]methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[[2-(2-methylpropylamino)phenyl]methyl]purine-2,6-dione Openeye Name: 8-chloro-7-[[2-(isobutylamino)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[2-(2-methylpropylamino)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[[2-(2-methylpropylamino)phenyl]methyl]purine-2,6-dione Traditional Name: 8-chloro-7-[2-(isobutylamino)benzyl]-1,3-dimethyl-xanthine Formula: C18H22ClN5O2 MolecularWeight: 375.85258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC=CC=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)CNC1=CC=CC=C1CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C18H22ClN5O2/c1-11(2)9-20-13-8-6-5-7-12(13)10-24-14-15(21-17(24)19)22(3)18(26)23(4)16(14)25/h5-8,11,20H,9-10H2,1-4H3