2-[2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile CAS Name: 2-[2-[(4,7-dimethyl-2-quinazolinyl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile IUPAC Name: 2-[2-[(4,7-dimethylquinazolin-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile Traditional Name: 2-[2-[(4,7-dimethylquinazolin-2-yl)amino]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetonitrile Formula: C17H16N6O MolecularWeight: 320.34854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C(=C(N3)C)CC#N)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)NC3=NC(=O)C(=C(N3)C)CC#N)C

InChI

InChI=1S/C17H16N6O/c1-9-4-5-12-10(2)19-16(21-14(12)8-9)23-17-20-11(3)13(6-7-18)15(24)22-17/h4-5,8H,6H2,1-3H3,(H2,19,20,21,22,23,24)