7-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C20H25ClN8O4 MolecularWeight: 476.9167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CN3C4=C(N=C3Cl)N(C(=O)N(C4=O)C)C)CCC

InChI

InChI=1S/C20H25ClN8O4/c1-5-7-9-28-15-12(16(30)24-19(28)32)27(8-6-2)11(22-15)10-29-13-14(23-18(29)21)25(3)20(33)26(4)17(13)31/h5-10H2,1-4H3,(H,24,30,32)