[(2R,3S)-2-(azidomethyl)-5-[2,4-bis(oxidanylidene)quinazolin-1-yl]oxolan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3S)-2-(azidomethyl)-5-[2,4-bis(oxidanylidene)quinazolin-1-yl]oxolan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3S)-2-(azidomethyl)-5-(2,4-dioxoquinazolin-1-yl)tetrahydrofuran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S)-2-(azidomethyl)-5-(2,4-dioxo-1-quinazolinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S)-2-(azidomethyl)-5-(2,4-dioxoquinazolin-1-yl)oxolan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S)-2-(azidomethyl)-5-(2,4-diketoquinazolin-1-yl)tetrahydrofuran-3-yl] ester Formula: C21H19N5O5 MolecularWeight: 421.40606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CC(OC2CN=[N+]=[N-])N3C4=CC=CC=C4C(=O)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2CC(O[C@@H]2CN=[N+]=[N-])N3C4=CC=CC=C4C(=O)NC3=O

InChI

InChI=1S/C21H19N5O5/c1-12-6-8-13(9-7-12)20(28)31-16-10-18(30-17(16)11-23-25-22)26-15-5-3-2-4-14(15)19(27)24-21(26)29/h2-9,16-18H,10-11H2,1H3,(H,24,27,29)/t16-,17+,18?/m0/s1