2-[(2,8-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzaldehyde

Systemtic Name: 2-[(2,8-dimethyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzaldehyde Openeye Name: 2-[(2,8-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzaldehyde CAS Name: 2-[(2,8-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzaldehyde IUPAC Name: 2-[(2,8-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzaldehyde Traditional Name: 2-[(4-keto-2,8-dimethyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzaldehyde Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)CN(CC#C)C3=CC=CC=C3C=O)C(=O)N=C(N2)C

Isomeric SMILES

CC1=C2C(=CC(=C1)CN(CC#C)C3=CC=CC=C3C=O)C(=O)N=C(N2)C

InChI

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