4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]ethyl]benzamide

Systemtic Name: 4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[2-[(6-oxidanylidene-1H-pyrimidin-2-yl)amino]ethyl]benzamide Openeye Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]-N-[2-[(6-oxo-1H-pyrimidin-2-yl)amino]ethyl]benzamide CAS Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-[(6-oxo-1H-pyrimidin-2-yl)amino]ethyl]benzamide IUPAC Name: 4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-[2-[(6-oxo-1H-pyrimidin-2-yl)amino]ethyl]benzamide Traditional Name: 4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]-N-[2-[(6-keto-1H-pyrimidin-2-yl)amino]ethyl]benzamide Formula: C26H25N7O3 MolecularWeight: 483.5218

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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)NCCNC4=NC=CC(=O)N4

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NCCNC4=NC=CC(=O)N4

InChI

InChI=1S/C26H25N7O3/c1-3-14-33(16-18-4-9-22-21(15-18)25(36)31-17(2)30-22)20-7-5-19(6-8-20)24(35)27-12-13-29-26-28-11-10-23(34)32-26/h1,4-11,15H,12-14,16H2,2H3,(H,27,35)(H,30,31,36)(H2,28,29,32,34)