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

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-1-methyl-7-pentan-3-yl-purine-2,6-dione Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-7-(1-ethylpropyl)-1-methyl-purine-2,6-dione CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-1-methyl-7-pentan-3-ylpurine-2,6-dione IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-1-methyl-7-pentan-3-ylpurine-2,6-dione Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-7-(1-ethylpropyl)-1-methyl-xanthine Formula: C20H25ClN4O2 MolecularWeight: 388.8911

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

Isomeric SMILES

CCC(CC)N1C=NC2=C1C(=O)N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Cl)C

InChI

InChI=1S/C20H25ClN4O2/c1-6-14(7-2)24-11-22-18-17(24)19(26)23(5)20(27)25(18)16-9-8-13(12(3)4)10-15(16)21/h8-12,14H,6-7H2,1-5H3