[(2S,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methyl ethanoate

Systemtic Name: [(2S,3R)-1-(2-ethyl-4-oxidanylidene-quinazolin-3-yl)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methyl ethanoate Openeye Name: [(2S,3R)-1-(2-ethyl-4-oxo-quinazolin-3-yl)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methyl acetate CAS Name: acetic acid [(2S,3R)-1-(2-ethyl-4-oxo-3-quinazolinyl)-3-methyl-3-(4-methylpent-3-enyl)-2-aziridinyl]methyl ester IUPAC Name: [(2S,3R)-1-(2-ethyl-4-oxoquinazolin-3-yl)-3-methyl-3-(4-methylpent-3-enyl)aziridin-2-yl]methyl acetate Traditional Name: acetic acid [(2S,3R)-1-(2-ethyl-4-keto-quinazolin-3-yl)-3-methyl-3-(4-methylpent-3-enyl)ethylenimin-2-yl]methyl 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)CCC=C(C)C)COC(=O)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=O)N1N3[C@@H]([C@@]3(C)CCC=C(C)C)COC(=O)C

InChI

InChI=1S/C22H29N3O3/c1-6-20-23-18-12-8-7-11-17(18)21(27)24(20)25-19(14-28-16(4)26)22(25,5)13-9-10-15(2)3/h7-8,10-12,19H,6,9,13-14H2,1-5H3/t19-,22-,25?/m1/s1