[3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 4-chloranylbenzoate

Systemtic Name: [3-azido-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]oxolan-2-yl]methyl 4-chloranylbenzoate Openeye Name: [3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester IUPAC Name: [3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester Formula: C17H16ClN5O5 MolecularWeight: 405.79244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)Cl)N=[N+]=[N-]

Isomeric SMILES

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)Cl)N=[N+]=[N-]

InChI

InChI=1S/C17H16ClN5O5/c1-9-7-23(17(26)20-15(9)24)14-6-12(21-22-19)13(28-14)8-27-16(25)10-2-4-11(18)5-3-10/h2-5,7,12-14H,6,8H2,1H3,(H,20,24,26)