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

Systemtic Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione Openeye Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(2-methyl-1-piperidyl)methyl]purine-2,6-dione CAS Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(2-methyl-1-piperidinyl)methyl]purine-2,6-dione IUPAC Name: 7-[(3,4-dichlorophenyl)methyl]-3-methyl-8-[(2-methylpiperidin-1-yl)methyl]purine-2,6-dione Traditional Name: 7-(3,4-dichlorobenzyl)-3-methyl-8-[(2-methylpiperidino)methyl]xanthine Formula: C20H23Cl2N5O2 MolecularWeight: 436.33492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCCN1CC2=NC3=C(N2CC4=CC(=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H23Cl2N5O2/c1-12-5-3-4-8-26(12)11-16-23-18-17(19(28)24-20(29)25(18)2)27(16)10-13-6-7-14(21)15(22)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,24,28,29)