3-ethyl-1-[14-(3-ethyloxiran-2-yl)tetradecyl]-7H-purine-2,6-dione

Systemtic Name: 3-ethyl-1-[14-(3-ethyloxiran-2-yl)tetradecyl]-7H-purine-2,6-dione Openeye Name: 3-ethyl-1-[14-(3-ethyloxiran-2-yl)tetradecyl]-7H-purine-2,6-dione CAS Name: 3-ethyl-1-[14-(3-ethyl-2-oxiranyl)tetradecyl]-7H-purine-2,6-dione IUPAC Name: 3-ethyl-1-[14-(3-ethyloxiran-2-yl)tetradecyl]-7H-purine-2,6-dione Traditional Name: 3-ethyl-1-[14-(3-ethyloxiran-2-yl)tetradecyl]-7H-purine-2,6-quinone Formula: C25H42N4O3 MolecularWeight: 446.62598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(O1)CCCCCCCCCCCCCCN2C(=O)C3=C(N=CN3)N(C2=O)CC

Isomeric SMILES

CCC1C(O1)CCCCCCCCCCCCCCN2C(=O)C3=C(N=CN3)N(C2=O)CC

InChI

InChI=1S/C25H42N4O3/c1-3-20-21(32-20)17-15-13-11-9-7-5-6-8-10-12-14-16-18-29-24(30)22-23(27-19-26-22)28(4-2)25(29)31/h19-21H,3-18H2,1-2H3,(H,26,27)