3-cyclopropyl-7-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-7-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 3-cyclopropyl-7-(5-oxohexyl)purine-2,6-dione CAS Name: 3-cyclopropyl-7-(5-oxohexyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-7-(5-oxohexyl)purine-2,6-dione Traditional Name: 3-cyclopropyl-7-(5-ketohexyl)xanthine Formula: C14H18N4O3 MolecularWeight: 290.31772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C=NC2=C1C(=O)NC(=O)N2C3CC3

Isomeric SMILES

CC(=O)CCCCN1C=NC2=C1C(=O)NC(=O)N2C3CC3

InChI

InChI=1S/C14H18N4O3/c1-9(19)4-2-3-7-17-8-15-12-11(17)13(20)16-14(21)18(12)10-5-6-10/h8,10H,2-7H2,1H3,(H,16,20,21)