7-(5-oxidanylidenehexyl)-1,3-di(propan-2-yl)purine-2,6-dione

Systemtic Name: 7-(5-oxidanylidenehexyl)-1,3-di(propan-2-yl)purine-2,6-dione Openeye Name: 1,3-diisopropyl-7-(5-oxohexyl)purine-2,6-dione CAS Name: 7-(5-oxohexyl)-1,3-di(propan-2-yl)purine-2,6-dione IUPAC Name: 7-(5-oxohexyl)-1,3-di(propan-2-yl)purine-2,6-dione Traditional Name: 1,3-diisopropyl-7-(5-ketohexyl)xanthine Formula: C17H26N4O3 MolecularWeight: 334.41334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)C(C)C)N(C=N2)CCCCC(=O)C

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)C(C)C)N(C=N2)CCCCC(=O)C

InChI

InChI=1S/C17H26N4O3/c1-11(2)20-15-14(16(23)21(12(3)4)17(20)24)19(10-18-15)9-7-6-8-13(5)22/h10-12H,6-9H2,1-5H3