1,3-dimethyl-7-(6-oxidanylideneheptyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(6-oxidanylideneheptyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(6-oxoheptyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(6-oxoheptyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(6-oxoheptyl)purine-2,6-dione Traditional Name: 7-(6-ketoheptyl)-1,3-dimethyl-xanthine Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)CCCCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

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