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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

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