3-methyl-7-(4-oxidanylidenepentyl)-1-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(4-oxidanylidenepentyl)-1-prop-2-ynyl-purine-2,6-dione Openeye Name: 3-methyl-7-(4-oxopentyl)-1-prop-2-ynyl-purine-2,6-dione CAS Name: 3-methyl-7-(4-oxopentyl)-1-prop-2-ynylpurine-2,6-dione IUPAC Name: 3-methyl-7-(4-oxopentyl)-1-prop-2-ynylpurine-2,6-dione Traditional Name: 7-(4-ketopentyl)-3-methyl-1-propargyl-xanthine Formula: C14H16N4O3 MolecularWeight: 288.30184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C

Isomeric SMILES

CC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CC#C

InChI

InChI=1S/C14H16N4O3/c1-4-7-18-13(20)11-12(16(3)14(18)21)15-9-17(11)8-5-6-10(2)19/h1,9H,5-8H2,2-3H3