1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]ethyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[2-(3,7-dimethyl-2,6-dioxopurin-1-yl)ethyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl]-3,7-dimethyl-xanthine Formula: C16H18N8O4 MolecularWeight: 386.36532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C16H18N8O4/c1-19-7-17-11-9(19)13(25)23(15(27)21(11)3)5-6-24-14(26)10-12(18-8-20(10)2)22(4)16(24)28/h7-8H,5-6H2,1-4H3