4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]benzamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(1-oxidanidylpyridin-1-ium-3-yl)methyl]benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(1-oxido-3-pyridin-1-iumyl)methyl]benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-[(1-oxidopyridin-1-ium-3-yl)methyl]benzamide Formula: C26H23N5O3 MolecularWeight: 453.49252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C26H23N5O3/c1-3-12-30(16-19-6-11-24-23(14-19)26(33)29-18(2)28-24)22-9-7-21(8-10-22)25(32)27-15-20-5-4-13-31(34)17-20/h1,4-11,13-14,17H,12,15-16H2,2H3,(H,27,32)(H,28,29,33)