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

Systemtic Name: 3-butyl-1-methyl-7-(6-oxidanylideneheptyl)purine-2,6-dione Openeye Name: 3-butyl-1-methyl-7-(6-oxoheptyl)purine-2,6-dione CAS Name: 3-butyl-1-methyl-7-(6-oxoheptyl)purine-2,6-dione IUPAC Name: 3-butyl-1-methyl-7-(6-oxoheptyl)purine-2,6-dione Traditional Name: 3-butyl-7-(6-ketoheptyl)-1-methyl-xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCCC(=O)C

InChI

InChI=1S/C17H26N4O3/c1-4-5-11-21-15-14(16(23)19(3)17(21)24)20(12-18-15)10-8-6-7-9-13(2)22/h12H,4-11H2,1-3H3