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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-(2-dimethylaminoethylamino)-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-8-(2-dimethylaminoethylamino)-3-methyl-xanthine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H21ClN6O2/c1-22(2)9-8-19-16-20-14-13(15(25)21-17(26)23(14)3)24(16)10-11-6-4-5-7-12(11)18/h4-7H,8-10H2,1-3H3,(H,19,20)(H,21,25,26)