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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CCCCC(=O)C

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CCCCC(=O)C

InChI

InChI=1S/C17H26N4O3/c1-4-9-19-12-18-15-14(19)16(23)21(11-7-6-8-13(3)22)17(24)20(15)10-5-2/h12H,4-11H2,1-3H3