3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)-2H-purin-6-one

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)-2H-purin-6-one Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-7-(1-ethyl-2-methyl-propyl)-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7-(2-methylpentan-3-yl)-2H-purin-6-one Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-7-(1-ethyl-2-methyl-propyl)-1-methyl-2H-purin-6-one Formula: C23H33ClN4O MolecularWeight: 416.98732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)C(C)C)C(=O)N(CN2C3=C(C=C(C=C3)C(C)C)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)C(C)C)C(=O)N(CN2C3=C(C=C(C=C3)C(C)C)Cl)C

InChI

InChI=1S/C23H33ClN4O/c1-8-18(15(5)6)28-20(9-2)25-22-21(28)23(29)26(7)13-27(22)19-11-10-16(14(3)4)12-17(19)24/h10-12,14-15,18H,8-9,13H2,1-7H3