2-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzaldehyde

Systemtic Name: 2-[(2,7-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzaldehyde Openeye Name: 2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzaldehyde CAS Name: 2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzaldehyde IUPAC Name: 2-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzaldehyde Traditional Name: 2-[(4-keto-2,7-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzaldehyde Formula: C21H19N3O2 MolecularWeight: 345.39446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC=CC=C3C=O

Isomeric SMILES

CC1=C(C=C2C(=C1)NC(=NC2=O)C)CN(CC#C)C3=CC=CC=C3C=O

InChI

InChI=1S/C21H19N3O2/c1-4-9-24(20-8-6-5-7-16(20)13-25)12-17-11-18-19(10-14(17)2)22-15(3)23-21(18)26/h1,5-8,10-11,13H,9,12H2,2-3H3,(H,22,23,26)