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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Formula: C22H31ClN4O2 MolecularWeight: 418.96014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN4O2/c1-5-7-8-9-10-13-26-19(6-2)24-21-20(26)22(28)25(3)15-27(21)18-12-11-16(29-4)14-17(18)23/h11-12,14H,5-10,13,15H2,1-4H3