3,7-dimethyl-1-(5-oxidanylidenehexyl)-8-(pyridin-3-ylmethoxy)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(5-oxidanylidenehexyl)-8-(pyridin-3-ylmethoxy)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(5-oxohexyl)-8-(3-pyridylmethoxy)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(5-oxohexyl)-8-(3-pyridinylmethoxy)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(5-oxohexyl)-8-(pyridin-3-ylmethoxy)purine-2,6-dione Traditional Name: 1-(5-ketohexyl)-3,7-dimethyl-8-(3-pyridylmethoxy)xanthine Formula: C19H23N5O4 MolecularWeight: 385.41702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)OCC3=CN=CC=C3)N(C1=O)C

Isomeric SMILES

CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)OCC3=CN=CC=C3)N(C1=O)C

InChI

InChI=1S/C19H23N5O4/c1-13(25)7-4-5-10-24-17(26)15-16(23(3)19(24)27)21-18(22(15)2)28-12-14-8-6-9-20-11-14/h6,8-9,11H,4-5,7,10,12H2,1-3H3