[4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 8-phenyloctanoate

Systemtic Name: [4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 8-phenyloctanoate Openeye Name: [4-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 8-phenyloctanoate CAS Name: 8-phenyloctanoic acid [4-(4-amino-2-oxo-1-pyrimidinyl)-1,3-dioxolan-2-yl]methyl ester IUPAC Name: [4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 8-phenyloctanoate Traditional Name: 8-phenylcaprylic acid [4-(4-amino-2-keto-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(O1)COC(=O)CCCCCCCC2=CC=CC=C2)N3C=CC(=NC3=O)N

Isomeric SMILES

C1C(OC(O1)COC(=O)CCCCCCCC2=CC=CC=C2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C22H29N3O5/c23-18-13-14-25(22(27)24-18)19-15-29-21(30-19)16-28-20(26)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-14,19,21H,1-3,5,8-9,12,15-16H2,(H2,23,24,27)