3-cyclopropyl-7-ethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-7-ethyl-1-(5-oxidanylidenehexyl)purine-2,6-dione Openeye Name: 3-cyclopropyl-7-ethyl-1-(5-oxohexyl)purine-2,6-dione CAS Name: 3-cyclopropyl-7-ethyl-1-(5-oxohexyl)purine-2,6-dione IUPAC Name: 3-cyclopropyl-7-ethyl-1-(5-oxohexyl)purine-2,6-dione Traditional Name: 3-cyclopropyl-7-ethyl-1-(5-ketohexyl)xanthine Formula: C16H22N4O3 MolecularWeight: 318.37088

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCCCC(=O)C

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C3CC3)CCCCC(=O)C

InChI

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