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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-8-(3-methoxypropylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-8-(3-methoxypropylamino)-1,3-dimethyl-xanthine Formula: C18H21Cl2N5O3 MolecularWeight: 426.29704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O3/c1-23-15-14(16(26)24(2)18(23)27)25(17(22-15)21-7-4-8-28-3)10-11-5-6-12(19)13(20)9-11/h5-6,9H,4,7-8,10H2,1-3H3,(H,21,22)