3-(2-chloranyl-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-purine-2,6-dione

Systemtic Name: 3-(2-chloranyl-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-purine-2,6-dione Openeye Name: 3-(2-chloro-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-purine-2,6-dione CAS Name: 3-(2-chloro-4-methoxyphenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methylpurine-2,6-dione IUPAC Name: 3-(2-chloro-4-methoxyphenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methylpurine-2,6-dione Traditional Name: 3-(2-chloro-4-methoxy-phenyl)-7-(1-cyclopropylpropyl)-8-ethyl-1-methyl-xanthine Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(CC)C3CC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)OC)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1C(CC)C3CC3)C(=O)N(C(=O)N2C4=C(C=C(C=C4)OC)Cl)C

InChI

InChI=1S/C21H25ClN4O3/c1-5-15(12-7-8-12)25-17(6-2)23-19-18(25)20(27)24(3)21(28)26(19)16-10-9-13(29-4)11-14(16)22/h9-12,15H,5-8H2,1-4H3