3,7-dimethyl-8-(morpholin-4-ylmethyl)-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(morpholin-4-ylmethyl)-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(morpholinomethyl)purine-2,6-dione CAS Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(4-morpholinylmethyl)purine-2,6-dione IUPAC Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Traditional Name: 1-(5-hydroxyhexyl)-3,7-dimethyl-8-(morpholinomethyl)xanthine Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)CN3CCOCC3)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)CN3CCOCC3)N(C1=O)C)O

InChI

InChI=1S/C18H29N5O4/c1-13(24)6-4-5-7-23-17(25)15-16(21(3)18(23)26)19-14(20(15)2)12-22-8-10-27-11-9-22/h13,24H,4-12H2,1-3H3