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

Systemtic Name: 8-(butylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(butylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(butylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(butylamino)-7-[(2,4-dichlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(butylamino)-7-(2,4-dichlorobenzyl)-1,3-dimethyl-xanthine Formula: C18H21Cl2N5O2 MolecularWeight: 410.29764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C(=O)N(C(=O)N2C)C

InChI

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