3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-oxidanylidene-7-pyrimidin-5-yl-quinazolin-3-yl)phenyl]benzamide

Systemtic Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-oxidanylidene-7-pyrimidin-5-yl-quinazolin-3-yl)phenyl]benzamide Openeye Name: 3-(1-cyano-1-methyl-ethyl)-N-[4-methyl-3-(4-oxo-7-pyrimidin-5-yl-quinazolin-3-yl)phenyl]benzamide CAS Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[4-oxo-7-(5-pyrimidinyl)-3-quinazolinyl]phenyl]benzamide IUPAC Name: 3-(2-cyanopropan-2-yl)-N-[4-methyl-3-(4-oxo-7-pyrimidin-5-ylquinazolin-3-yl)phenyl]benzamide Traditional Name: 3-(1-cyano-1-methyl-ethyl)-N-[3-[4-keto-7-(5-pyrimidyl)quinazolin-3-yl]-4-methyl-phenyl]benzamide Formula: C30H24N6O2 MolecularWeight: 500.55056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)C5=CN=CN=C5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)N3C=NC4=C(C3=O)C=CC(=C4)C5=CN=CN=C5

InChI

InChI=1S/C30H24N6O2/c1-19-7-9-24(35-28(37)21-5-4-6-23(11-21)30(2,3)16-31)13-27(19)36-18-34-26-12-20(8-10-25(26)29(36)38)22-14-32-17-33-15-22/h4-15,17-18H,1-3H3,(H,35,37)