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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O2/c1-22(10-12-5-6-13(19)9-14(12)20)7-4-8-25-17(26)15-16(21-11-23(15)2)24(3)18(25)27/h5-6,9,11H,4,7-8,10H2,1-3H3