[(E)-5-[1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3,3-dimethyl-aziridin-2-yl]-3-methyl-pent-2-enyl] ethanoate

Systemtic Name: [(E)-5-[1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3,3-dimethyl-aziridin-2-yl]-3-methyl-pent-2-enyl] ethanoate Openeye Name: [(E)-5-[1-(2-ethyl-4-oxo-quinazolin-3-yl)-3,3-dimethyl-aziridin-2-yl]-3-methyl-pent-2-enyl] acetate CAS Name: acetic acid [(E)-5-[1-(2-ethyl-4-oxo-3-quinazolinyl)-3,3-dimethyl-2-aziridinyl]-3-methylpent-2-enyl] ester IUPAC Name: [(E)-5-[1-(2-ethyl-4-oxoquinazolin-3-yl)-3,3-dimethylaziridin-2-yl]-3-methylpent-2-enyl] acetate Traditional Name: acetic acid [(E)-5-[1-(2-ethyl-4-keto-quinazolin-3-yl)-3,3-dimethyl-ethylenimin-2-yl]-3-methyl-pent-2-enyl] ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3(C)C)CCC(=CCOC(=O)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3C(C3(C)C)CC/C(=C/COC(=O)C)/C

InChI

InChI=1S/C22H29N3O3/c1-6-20-23-18-10-8-7-9-17(18)21(27)24(20)25-19(22(25,4)5)12-11-15(2)13-14-28-16(3)26/h7-10,13,19H,6,11-12,14H2,1-5H3/b15-13+