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

Systemtic Name: 3-butyl-8-[[(2,4-dichlorophenyl)amino]methyl]-7-ethyl-purine-2,6-dione Openeye Name: 3-butyl-8-[(2,4-dichloroanilino)methyl]-7-ethyl-purine-2,6-dione CAS Name: 3-butyl-8-[(2,4-dichloroanilino)methyl]-7-ethylpurine-2,6-dione IUPAC Name: 3-butyl-8-[(2,4-dichloroanilino)methyl]-7-ethylpurine-2,6-dione Traditional Name: 3-butyl-8-[(2,4-dichloroanilino)methyl]-7-ethyl-xanthine Formula: C18H21Cl2N5O2 MolecularWeight: 410.29764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=C(C=C3)Cl)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=C(C=C(C=C3)Cl)Cl)CC

InChI

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