1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-7-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)xanthine Formula: C18H28N4O7 MolecularWeight: 412.43752

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3COCCOCCOCCOCCO3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3COCCOCCOCCOCCO3

InChI

InChI=1S/C18H28N4O7/c1-20-16-15(17(23)21(2)18(20)24)22(13-19-16)11-14-12-28-8-7-26-4-3-25-5-6-27-9-10-29-14/h13-14H,3-12H2,1-2H3