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

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Formula: C24H35ClN4O MolecularWeight: 431.0139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)C(C)C)Cl)C)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(CN2C3=C(C=C(C=C3)C(C)C)Cl)C)CC

InChI

InChI=1S/C24H35ClN4O/c1-6-8-9-10-11-14-28-21(7-2)26-23-22(28)24(30)27(5)16-29(23)20-13-12-18(17(3)4)15-19(20)25/h12-13,15,17H,6-11,14,16H2,1-5H3