8-bromanyl-3-methyl-7-[2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]purine-2,6-dione Openeye Name: 8-bromo-3-methyl-7-[2-(3-methyl-2,6-dioxo-purin-7-yl)ethyl]purine-2,6-dione CAS Name: 8-bromo-3-methyl-7-[2-(3-methyl-2,6-dioxo-7-purinyl)ethyl]purine-2,6-dione IUPAC Name: 8-bromo-3-methyl-7-[2-(3-methyl-2,6-dioxopurin-7-yl)ethyl]purine-2,6-dione Traditional Name: 8-bromo-7-[2-(2,6-diketo-3-methyl-purin-7-yl)ethyl]-3-methyl-xanthine Formula: C14H13BrN8O4 MolecularWeight: 437.20822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3C4=C(N=C3Br)N(C(=O)NC4=O)C

InChI

InChI=1S/C14H13BrN8O4/c1-20-8-6(10(24)18-13(20)26)22(5-16-8)3-4-23-7-9(17-12(23)15)21(2)14(27)19-11(7)25/h5H,3-4H2,1-2H3,(H,18,24,26)(H,19,25,27)