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

Systemtic Name: 3-cyclopropyl-7-(2-oxidanylidenepropyl)-1-pentyl-purine-2,6-dione Openeye Name: 7-acetonyl-3-cyclopropyl-1-pentyl-purine-2,6-dione CAS Name: 3-cyclopropyl-7-(2-oxopropyl)-1-pentylpurine-2,6-dione IUPAC Name: 3-cyclopropyl-7-(2-oxopropyl)-1-pentylpurine-2,6-dione Traditional Name: 7-acetonyl-1-amyl-3-cyclopropyl-xanthine Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3CC3

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=CN2CC(=O)C)N(C1=O)C3CC3

InChI

InChI=1S/C16H22N4O3/c1-3-4-5-8-19-15(22)13-14(17-10-18(13)9-11(2)21)20(16(19)23)12-6-7-12/h10,12H,3-9H2,1-2H3