8-chloranyl-7-[1,3-diethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,3-diethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[1,3-diethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,3-diethyl-purine-2,6-dione Openeye Name: 8-chloro-7-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-1,3-diethyl-purine-2,6-dione CAS Name: 8-chloro-7-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-1,3-diethylpurine-2,6-dione IUPAC Name: 8-chloro-7-(1,3-diethyl-2,6-dioxo-7H-purin-8-yl)-1,3-diethylpurine-2,6-dione Traditional Name: 8-chloro-7-(1,3-diethyl-2,6-diketo-7H-purin-8-yl)-1,3-diethyl-xanthine Formula: C18H21ClN8O4 MolecularWeight: 448.86354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)N3C4=C(N=C3Cl)N(C(=O)N(C4=O)CC)CC

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)N3C4=C(N=C3Cl)N(C(=O)N(C4=O)CC)CC

InChI

InChI=1S/C18H21ClN8O4/c1-5-23-11-9(13(28)25(7-3)17(23)30)20-16(22-11)27-10-12(21-15(27)19)24(6-2)18(31)26(8-4)14(10)29/h5-8H2,1-4H3,(H,20,22)