1-[10,11-bis(oxidanyl)undecyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-[10,11-bis(oxidanyl)undecyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-(10,11-dihydroxyundecyl)-3-methyl-7H-purine-2,6-dione CAS Name: 1-(10,11-dihydroxyundecyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-(10,11-dihydroxyundecyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 1-(10,11-dihydroxyundecyl)-3-methyl-7H-purine-2,6-quinone Formula: C17H28N4O4 MolecularWeight: 352.42862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CCCCCCCCCC(CO)O)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CCCCCCCCCC(CO)O)NC=N2

InChI

InChI=1S/C17H28N4O4/c1-20-15-14(18-12-19-15)16(24)21(17(20)25)10-8-6-4-2-3-5-7-9-13(23)11-22/h12-13,22-23H,2-11H2,1H3,(H,18,19)