7-[(4-chlorophenyl)methyl]-3-methyl-6-piperidin-1-yl-9H-purine-2,8-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-piperidin-1-yl-9H-purine-2,8-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-(1-piperidyl)-9H-purine-2,8-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-(1-piperidinyl)-9H-purine-2,8-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-6-piperidin-1-yl-9H-purine-2,8-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-6-piperidino-9H-purine-2,8-quinone Formula: C18H20ClN5O2 MolecularWeight: 373.8367

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC1=O)N3CCCCC3)N(C(=O)N2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=NC1=O)N3CCCCC3)N(C(=O)N2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O2/c1-22-15-14(16(21-17(22)25)23-9-3-2-4-10-23)24(18(26)20-15)11-12-5-7-13(19)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,20,26)