3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-7-(1-ethyl-2-methyl-propyl)-1-methyl-purine-2,6-dione CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)purine-2,6-dione Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-7-(1-ethyl-2-methyl-propyl)-1-methyl-xanthine Formula: C23H31ClN4O2 MolecularWeight: 430.97084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)C(C)C)C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)C(C)C)C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

InChI

InChI=1S/C23H31ClN4O2/c1-8-17(14(5)6)27-19(9-2)25-21-20(27)22(29)26(7)23(30)28(21)18-11-10-15(13(3)4)12-16(18)24/h10-14,17H,8-9H2,1-7H3