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

Systemtic Name: 2-ethyl-3-[(2R,3S)-3-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-enyl)aziridin-1-yl]quinazolin-4-one Openeye Name: 2-ethyl-3-[(2R,3S)-3-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-enyl)aziridin-1-yl]quinazolin-4-one CAS Name: 2-ethyl-3-[(2R,3S)-3-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-enyl)-1-aziridinyl]-4-quinazolinone IUPAC Name: 2-ethyl-3-[(2R,3S)-3-(hydroxymethyl)-2-methyl-2-(4-methylpent-3-enyl)aziridin-1-yl]quinazolin-4-one Traditional Name: 2-ethyl-3-[(2R,3S)-2-methyl-3-methylol-2-(4-methylpent-3-enyl)ethylenimin-1-yl]quinazolin-4-one Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-5-18-21-16-11-7-6-10-15(16)19(25)22(18)23-17(13-24)20(23,4)12-8-9-14(2)3/h6-7,9-11,17,24H,5,8,12-13H2,1-4H3/t17-,20-,23?/m1/s1