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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(O1)CCCCCCCCCCCCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

Isomeric SMILES

CCC1C(O1)CCCCCCCCCCCCCCN2C(=O)C3=C(N=CN3C)N(C2=O)C

InChI

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