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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC1CCCN(C1)C2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)N(C(=O)N3C)C

InChI

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