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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)NC(=N2)NC4CCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)NC(=N2)NC4CCCC4

InChI

InChI=1S/C18H20ClN5O2/c1-23-15-14(21-17(22-15)20-13-4-2-3-5-13)16(25)24(18(23)26)10-11-6-8-12(19)9-7-11/h6-9,13H,2-5,10H2,1H3,(H2,20,21,22)