8-(3-chloranyl-4,5-dimethoxy-phenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione

Systemtic Name: 8-(3-chloranyl-4,5-dimethoxy-phenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione Openeye Name: 8-(3-chloro-4,5-dimethoxy-phenyl)-3,7-diisobutyl-purine-2,6-dione CAS Name: 8-(3-chloro-4,5-dimethoxyphenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-(3-chloro-4,5-dimethoxyphenyl)-3,7-bis(2-methylpropyl)purine-2,6-dione Traditional Name: 8-(3-chloro-4,5-dimethoxy-phenyl)-3,7-diisobutyl-xanthine Formula: C21H27ClN4O4 MolecularWeight: 434.91648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1C3=CC(=C(C(=C3)Cl)OC)OC)N(C(=O)NC2=O)CC(C)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1C3=CC(=C(C(=C3)Cl)OC)OC)N(C(=O)NC2=O)CC(C)C

InChI

InChI=1S/C21H27ClN4O4/c1-11(2)9-25-16-19(26(10-12(3)4)21(28)24-20(16)27)23-18(25)13-7-14(22)17(30-6)15(8-13)29-5/h7-8,11-12H,9-10H2,1-6H3,(H,24,27,28)