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

Systemtic Name: 3-methyl-1-(4-oxidanylidenepentyl)-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-1-(4-oxopentyl)-7-propyl-purine-2,6-dione CAS Name: 3-methyl-1-(4-oxopentyl)-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-1-(4-oxopentyl)-7-propylpurine-2,6-dione Traditional Name: 1-(4-ketopentyl)-3-methyl-7-propyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCC(=O)C

InChI

InChI=1S/C14H20N4O3/c1-4-7-17-9-15-12-11(17)13(20)18(14(21)16(12)3)8-5-6-10(2)19/h9H,4-8H2,1-3H3