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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(4-methyl-1-piperazinyl)methyl]purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-[(4-methylpiperazin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-[(4-methylpiperazino)methyl]xanthine Formula: C19H23ClN6O2 MolecularWeight: 402.87792

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(N2CC4=CC=C(C=C4)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C19H23ClN6O2/c1-23-7-9-25(10-8-23)12-15-21-17-16(18(27)22-19(28)24(17)2)26(15)11-13-3-5-14(20)6-4-13/h3-6H,7-12H2,1-2H3,(H,22,27,28)