2-methyl-3-[(2S)-2-methyl-2-(2-phenylethynyl)aziridin-1-yl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[(2S)-2-methyl-2-(2-phenylethynyl)aziridin-1-yl]quinazolin-4-one Openeye Name: 2-methyl-3-[(2S)-2-methyl-2-(2-phenylethynyl)aziridin-1-yl]quinazolin-4-one CAS Name: 2-methyl-3-[(2S)-2-methyl-2-(2-phenylethynyl)-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[(2S)-2-methyl-2-(2-phenylethynyl)aziridin-1-yl]quinazolin-4-one Traditional Name: 2-methyl-3-[(2S)-2-methyl-2-(2-phenylethynyl)ethylenimin-1-yl]quinazolin-4-one Formula: C20H17N3O MolecularWeight: 315.36848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N3CC3(C)C#CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1N3C[C@]3(C)C#CC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O/c1-15-21-18-11-7-6-10-17(18)19(24)23(15)22-14-20(22,2)13-12-16-8-4-3-5-9-16/h3-11H,14H2,1-2H3/t20-,22?/m0/s1