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

Systemtic Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-8-isopropyl-7H-purine-2,6-dione CAS Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-[(4-chlorophenyl)methyl]-1-ethyl-8-propan-2-yl-7H-purine-2,6-dione Traditional Name: 3-(4-chlorobenzyl)-1-ethyl-8-isopropyl-7H-purine-2,6-quinone Formula: C17H19ClN4O2 MolecularWeight: 346.81136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2)C(C)C)N(C1=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2/c1-4-21-16(23)13-15(20-14(19-13)10(2)3)22(17(21)24)9-11-5-7-12(18)8-6-11/h5-8,10H,4,9H2,1-3H3,(H,19,20)