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

Systemtic Name: [4-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 4-hexylbenzoate Openeye Name: [4-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 4-hexylbenzoate CAS Name: 4-hexylbenzoic 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 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-(4-amino-2-keto-pyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OCC2OCC(O2)N3C=CC(=NC3=O)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OCC2OCC(O2)N3C=CC(=NC3=O)N

InChI

InChI=1S/C21H27N3O5/c1-2-3-4-5-6-15-7-9-16(10-8-15)20(25)28-14-19-27-13-18(29-19)24-12-11-17(22)23-21(24)26/h7-12,18-19H,2-6,13-14H2,1H3,(H2,22,23,26)