[1-[5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl] docosanoate

Systemtic Name: [1-[5-(aminomethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl] docosanoate Openeye Name: [1-[5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-oxo-pyrimidin-4-yl] docosanoate CAS Name: docosanoic acid [1-[5-(aminomethyl)-3,4-dihydroxy-2-oxolanyl]-2-oxo-4-pyrimidinyl] ester IUPAC Name: [1-[5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl] docosanoate Traditional Name: behenic acid [1-[5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-2-keto-pyrimidin-4-yl] ester Formula: C31H55N3O6 MolecularWeight: 565.7849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=NC(=O)N(C=C1)C2C(C(C(O2)CN)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC(=O)OC1=NC(=O)N(C=C1)C2C(C(C(O2)CN)O)O

InChI

InChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(35)40-26-22-23-34(31(38)33-26)30-29(37)28(36)25(24-32)39-30/h22-23,25,28-30,36-37H,2-21,24,32H2,1H3