3-cyclopropyl-1-hexyl-7-(2-oxidanylidenepropyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-1-hexyl-7-(2-oxidanylidenepropyl)purine-2,6-dione Openeye Name: 7-acetonyl-3-cyclopropyl-1-hexyl-purine-2,6-dione CAS Name: 3-cyclopropyl-1-hexyl-7-(2-oxopropyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-1-hexyl-7-(2-oxopropyl)purine-2,6-dione Traditional Name: 7-acetonyl-3-cyclopropyl-1-hexyl-xanthine Formula: C17H24N4O3 MolecularWeight: 332.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3CC3

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3CC3

InChI

InChI=1S/C17H24N4O3/c1-3-4-5-6-9-20-16(23)14-15(18-11-19(14)10-12(2)22)21(17(20)24)13-7-8-13/h11,13H,3-10H2,1-2H3