[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-azido-4-hexanoyloxy-5-(hydroxymethyl)oxolan-3-yl] hexanoate

Systemtic Name: [2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-5-azido-4-hexanoyloxy-5-(hydroxymethyl)oxolan-3-yl] hexanoate Openeye Name: [2-(4-amino-2-oxo-pyrimidin-1-yl)-5-azido-4-hexanoyloxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] hexanoate CAS Name: hexanoic acid [2-(4-amino-2-oxo-1-pyrimidinyl)-5-azido-5-(hydroxymethyl)-4-(1-oxohexoxy)-3-oxolanyl] ester IUPAC Name: [2-(4-amino-2-oxopyrimidin-1-yl)-5-azido-4-hexanoyloxy-5-(hydroxymethyl)oxolan-3-yl] hexanoate Traditional Name: hexanoic acid [2-(4-amino-2-keto-pyrimidin-1-yl)-5-azido-4-caproyloxy-5-methylol-tetrahydrofuran-3-yl] ester Formula: C21H32N6O7 MolecularWeight: 480.51478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1C(C(OC1N2C=CC(=NC2=O)N)(CO)N=[N+]=[N-])OC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)OC1C(C(OC1N2C=CC(=NC2=O)N)(CO)N=[N+]=[N-])OC(=O)CCCCC

InChI

InChI=1S/C21H32N6O7/c1-3-5-7-9-15(29)32-17-18(33-16(30)10-8-6-4-2)21(13-28,25-26-23)34-19(17)27-12-11-14(22)24-20(27)31/h11-12,17-19,28H,3-10,13H2,1-2H3,(H2,22,24,31)