3-methyl-7-(7-oxidanylideneoctyl)-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(7-oxidanylideneoctyl)-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 3-methyl-7-(7-oxooctyl)-1-prop-2-ynyl-purine-2,6-dione CAS Name: 3-methyl-7-(7-oxooctyl)-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3-methyl-7-(7-oxooctyl)-1-prop-2-ynylpurine-2,6-dione Traditional Name: 7-(7-ketooctyl)-3-methyl-1-propargyl-xanthine Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C

Isomeric SMILES

CC(=O)CCCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C

InChI

InChI=1S/C17H22N4O3/c1-4-10-21-16(23)14-15(19(3)17(21)24)18-12-20(14)11-8-6-5-7-9-13(2)22/h1,12H,5-11H2,2-3H3