1-[(3,4-dichlorophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-8-ethyl-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(3,4-dichlorophenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(3,4-dichlorobenzyl)-8-ethyl-7-methyl-3-propyl-xanthine Formula: C18H20Cl2N4O2 MolecularWeight: 395.283

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC(=C(C=C3)Cl)Cl)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC(=C(C=C3)Cl)Cl)N(C(=N2)CC)C

InChI

InChI=1S/C18H20Cl2N4O2/c1-4-8-23-16-15(22(3)14(5-2)21-16)17(25)24(18(23)26)10-11-6-7-12(19)13(20)9-11/h6-7,9H,4-5,8,10H2,1-3H3