3,7-diethyl-1-(9-oxidanyldecyl)purine-2,6-dione

Systemtic Name: 3,7-diethyl-1-(9-oxidanyldecyl)purine-2,6-dione Openeye Name: 3,7-diethyl-1-(9-hydroxydecyl)purine-2,6-dione CAS Name: 3,7-diethyl-1-(9-hydroxydecyl)purine-2,6-dione IUPAC Name: 3,7-diethyl-1-(9-hydroxydecyl)purine-2,6-dione Traditional Name: 3,7-diethyl-1-(9-hydroxydecyl)xanthine Formula: C19H32N4O3 MolecularWeight: 364.48238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCCCCC(C)O

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC)CCCCCCCCC(C)O

InChI

InChI=1S/C19H32N4O3/c1-4-21-14-20-17-16(21)18(25)23(19(26)22(17)5-2)13-11-9-7-6-8-10-12-15(3)24/h14-15,24H,4-13H2,1-3H3