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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-8-[(dipropylamino)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-8-[(dipropylamino)methyl]-3-methyl-xanthine Formula: C20H25Cl2N5O2 MolecularWeight: 438.3508

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=NC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CCCN(CCC)CC1=NC2=C(N1CC3=C(C=C(C=C3)Cl)Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H25Cl2N5O2/c1-4-8-26(9-5-2)12-16-23-18-17(19(28)24-20(29)25(18)3)27(16)11-13-6-7-14(21)10-15(13)22/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,24,28,29)