7-[(4-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-8-[(4-ethyl-1-piperazinyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-8-[(4-ethylpiperazin-1-yl)methyl]-3-methylpurine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-8-[(4-ethylpiperazino)methyl]-3-methyl-xanthine Formula: C20H25ClN6O2 MolecularWeight: 416.9045

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CCN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H25ClN6O2/c1-3-25-8-10-26(11-9-25)13-16-22-18-17(19(28)23-20(29)24(18)2)27(16)12-14-4-6-15(21)7-5-14/h4-7H,3,8-13H2,1-2H3,(H,23,28,29)