[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl octadecanoate

Systemtic Name: [5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl octadecanoate Openeye Name: [5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octadecanoate CAS Name: octadecanoic acid [5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methyl ester IUPAC Name: [5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octadecanoate Traditional Name: stearic acid [5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester Formula: C27H47N3O6 MolecularWeight: 509.67858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O

InChI

InChI=1S/C27H47N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h18-19,21,24-26,32-33H,2-17,20H2,1H3,(H2,28,29,34)