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

Systemtic Name: 3-methyl-7-[2-[3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]purine-2,6-dione Openeye Name: 3-methyl-7-[2-(3-methyl-2,6-dioxo-purin-7-yl)ethyl]purine-2,6-dione CAS Name: 3-methyl-7-[2-(3-methyl-2,6-dioxo-7-purinyl)ethyl]purine-2,6-dione IUPAC Name: 3-methyl-7-[2-(3-methyl-2,6-dioxopurin-7-yl)ethyl]purine-2,6-dione Traditional Name: 7-[2-(2,6-diketo-3-methyl-purin-7-yl)ethyl]-3-methyl-xanthine Formula: C14H14N8O4 MolecularWeight: 358.31216

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3C=NC4=C3C(=O)NC(=O)N4C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCN3C=NC4=C3C(=O)NC(=O)N4C

InChI

InChI=1S/C14H14N8O4/c1-19-9-7(11(23)17-13(19)25)21(5-15-9)3-4-22-6-16-10-8(22)12(24)18-14(26)20(10)2/h5-6H,3-4H2,1-2H3,(H,17,23,25)(H,18,24,26)