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

Systemtic Name: N-[(2,3-dimethyl-4-oxidanylidene-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide Openeye Name: N-[(2,3-dimethyl-4-oxo-quinazolin-6-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzamide CAS Name: N-[(2,3-dimethyl-4-oxo-6-quinazolinyl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide IUPAC Name: N-[(2,3-dimethyl-4-oxoquinazolin-6-yl)methyl]-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide Traditional Name: N-[(4-keto-2,3-dimethyl-quinazolin-6-yl)methyl]-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzamide Formula: C31H28N6O3 MolecularWeight: 532.59242

Click to see the large picture

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=CC5=C(C=C4)N=C(N(C5=O)C)C

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCC4=CC5=C(C=C4)N=C(N(C5=O)C)C

InChI

InChI=1S/C31H28N6O3/c1-5-14-37(18-22-7-13-27-25(16-22)30(39)34-19(2)33-27)24-10-8-23(9-11-24)29(38)32-17-21-6-12-28-26(15-21)31(40)36(4)20(3)35-28/h1,6-13,15-16H,14,17-18H2,2-4H3,(H,32,38)(H,33,34,39)