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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)CC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H23Cl2N5O2/c1-12-6-8-26(9-7-12)19-23-17-16(24(19)2)18(28)27(20(29)25(17)3)11-13-4-5-14(21)15(22)10-13/h4-5,10,12H,6-9,11H2,1-3H3