6-azanyl-1H-pyrimidin-2-one; 2,3-di(octanoyloxy)propyl octanoate

Systemtic Name: 6-azanyl-1H-pyrimidin-2-one; 2,3-di(octanoyloxy)propyl octanoate Openeye Name: 6-amino-1H-pyrimidin-2-one; 2,3-di(octanoyloxy)propyl octanoate CAS Name: 6-amino-1H-pyrimidin-2-one; octanoic acid 2,3-bis(1-oxooctoxy)propyl ester IUPAC Name: 6-amino-1H-pyrimidin-2-one; 2,3-di(octanoyloxy)propyl octanoate Traditional Name: 6-amino-1H-pyrimidin-2-one; caprylic acid 2,3-dicaprylyloxypropyl ester Formula: C31H55N3O7 MolecularWeight: 581.7843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.C1=C(NC(=O)N=C1)N

Isomeric SMILES

CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.C1=C(NC(=O)N=C1)N

InChI

InChI=1S/C27H50O6.C4H5N3O/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2;5-3-1-2-6-4(8)7-3/h24H,4-23H2,1-3H3;1-2H,(H3,5,6,7,8)