1-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(2-dimethylaminoethylamino)-3,7-dimethyl-xanthine Formula: C18H23ClN6O2 MolecularWeight: 390.86722

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C18H23ClN6O2/c1-22(2)10-9-20-17-21-15-14(23(17)3)16(26)25(18(27)24(15)4)11-12-5-7-13(19)8-6-12/h5-8H,9-11H2,1-4H3,(H,20,21)