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

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-2H-purin-6-one Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-2H-purin-6-one CAS Name: 3-(2-chloro-4-methoxyphenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-2H-purin-6-one IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-2H-purin-6-one Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-2H-purin-6-one Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)C3CC3)C(=O)N(CN2C4=C(C=C(C=C4)OC)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)C3CC3)C(=O)N(CN2C4=C(C=C(C=C4)OC)Cl)C

InChI

InChI=1S/C21H27ClN4O2/c1-5-16(13-7-8-13)26-18(6-2)23-20-19(26)21(27)24(3)12-25(20)17-10-9-14(28-4)11-15(17)22/h9-11,13,16H,5-8,12H2,1-4H3