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

Systemtic Name: 1-[3-[3-ethyl-7-methyl-2,6-bis(oxidanylidene)purin-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-(3-ethyl-7-methyl-2,6-dioxo-purin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-(3-ethyl-7-methyl-2,6-dioxo-1-purinyl)propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-(3-ethyl-7-methyl-2,6-dioxopurin-1-yl)propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-(3-ethyl-2,6-diketo-7-methyl-purin-1-yl)propyl]-3,7-dimethyl-xanthine Formula: C18H22N8O4 MolecularWeight: 414.41848

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N(C=N2)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CCCN3C(=O)C4=C(N=CN4C)N(C3=O)C)N(C=N2)C

InChI

InChI=1S/C18H22N8O4/c1-5-24-14-12(22(3)10-20-14)16(28)26(18(24)30)8-6-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h9-10H,5-8H2,1-4H3