3-(2-chloranyl-4,5-dimethoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one

Systemtic Name: 3-(2-chloranyl-4,5-dimethoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4,5-dimethoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4,5-dimethoxyphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4,5-dimethoxyphenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4,5-dimethoxy-phenyl)-8-ethyl-7-heptyl-1-methyl-2H-purin-6-one Formula: C23H33ClN4O3 MolecularWeight: 448.98612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)OC)C)CC

Isomeric SMILES

CCCCCCCN1C(=NC2=C1C(=O)N(CN2C3=CC(=C(C=C3Cl)OC)OC)C)CC

InChI

InChI=1S/C23H33ClN4O3/c1-6-8-9-10-11-12-27-20(7-2)25-22-21(27)23(29)26(3)15-28(22)17-14-19(31-5)18(30-4)13-16(17)24/h13-14H,6-12,15H2,1-5H3