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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)CC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

Isomeric SMILES

CC1CCCN(C1)CC2=NC3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)NC(=O)N3C

InChI

InChI=1S/C20H23Cl2N5O2/c1-12-4-3-7-26(9-12)11-16-23-18-17(19(28)24-20(29)25(18)2)27(16)10-13-5-6-14(21)8-15(13)22/h5-6,8,12H,3-4,7,9-11H2,1-2H3,(H,24,28,29)