[(2R,3S)-2-(azidomethyl)-5-[6-methyl-2,4-bis(oxidanylidene)quinazolin-1-yl]oxolan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3S)-2-(azidomethyl)-5-[6-methyl-2,4-bis(oxidanylidene)quinazolin-1-yl]oxolan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3S)-2-(azidomethyl)-5-(6-methyl-2,4-dioxo-quinazolin-1-yl)tetrahydrofuran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3S)-2-(azidomethyl)-5-(6-methyl-2,4-dioxo-1-quinazolinyl)-3-oxolanyl] ester IUPAC Name: [(2R,3S)-2-(azidomethyl)-5-(6-methyl-2,4-dioxoquinazolin-1-yl)oxolan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3S)-2-(azidomethyl)-5-(2,4-diketo-6-methyl-quinazolin-1-yl)tetrahydrofuran-3-yl] ester Formula: C22H21N5O5 MolecularWeight: 435.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2CC(OC2CN=[N+]=[N-])N3C4=C(C=C(C=C4)C)C(=O)NC3=O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]2CC(O[C@@H]2CN=[N+]=[N-])N3C4=C(C=C(C=C4)C)C(=O)NC3=O

InChI

InChI=1S/C22H21N5O5/c1-12-3-6-14(7-4-12)21(29)32-17-10-19(31-18(17)11-24-26-23)27-16-8-5-13(2)9-15(16)20(28)25-22(27)30/h3-9,17-19H,10-11H2,1-2H3,(H,25,28,30)/t17-,18+,19?/m0/s1