3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-7H-purine-2,6-dione Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-7H-purine-2,6-quinone Formula: C17H19ClN4O2 MolecularWeight: 346.81136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

InChI

InChI=1S/C17H19ClN4O2/c1-5-13-19-14-15(20-13)22(17(24)21(4)16(14)23)12-7-6-10(9(2)3)8-11(12)18/h6-9H,5H2,1-4H3,(H,19,20)