(2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]pentanoate

Systemtic Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]pentanoate Openeye Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]pentanoate CAS Name: (2S)-2-[(6,7-dimethoxy-4-quinazolinyl)ammonio]pentanoate IUPAC Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)azaniumyl]pentanoate Traditional Name: (2S)-2-[(6,7-dimethoxyquinazolin-4-yl)ammonio]valerate Formula: C15H19N3O4 MolecularWeight: 305.32906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

Isomeric SMILES

CCC[C@@H](C(=O)[O-])[NH2+]C1=NC=NC2=CC(=C(C=C21)OC)OC

InChI

InChI=1S/C15H19N3O4/c1-4-5-10(15(19)20)18-14-9-6-12(21-2)13(22-3)7-11(9)16-8-17-14/h6-8,10H,4-5H2,1-3H3,(H,19,20)(H,16,17,18)/t10-/m0/s1