7-[(3,4-dichlorophenyl)methyl]-8-(diethylaminomethyl)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-8-(diethylaminomethyl)-3-methyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(diethylaminomethyl)-3-methyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-8-(diethylaminomethyl)-3-methylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-8-(diethylaminomethyl)-3-methylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(diethylaminomethyl)-3-methyl-xanthine Formula: C18H21Cl2N5O2 MolecularWeight: 410.29764

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CC1=NC2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H21Cl2N5O2/c1-4-24(5-2)10-14-21-16-15(17(26)22-18(27)23(16)3)25(14)9-11-6-7-12(19)13(20)8-11/h6-8H,4-5,9-10H2,1-3H3,(H,22,26,27)