(2S)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]pentanoic acid

Systemtic Name: (2S)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]pentanoic acid Openeye Name: (2S)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]pentanoic acid CAS Name: (2S)-2-[[2-(dimethylaminomethyl)-4-quinazolinyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]pentanoic acid Traditional Name: (2S)-2-[[2-(dimethylaminomethyl)quinazolin-4-yl]amino]valeric acid Formula: C16H22N4O2 MolecularWeight: 302.37148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN(C)C

Isomeric SMILES

CCC[C@@H](C(=O)O)NC1=NC(=NC2=CC=CC=C21)CN(C)C

InChI

InChI=1S/C16H22N4O2/c1-4-7-13(16(21)22)18-15-11-8-5-6-9-12(11)17-14(19-15)10-20(2)3/h5-6,8-9,13H,4,7,10H2,1-3H3,(H,21,22)(H,17,18,19)/t13-/m0/s1