2-[2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile CAS Name: 2-[2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile IUPAC Name: 2-[2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetonitrile Traditional Name: 2-[4-keto-2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-6-methyl-1H-pyrimidin-5-yl]acetonitrile Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=NC3=C(C=C(C=C3)OC)C(=N2)C)CC#N

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=NC3=C(C=C(C=C3)OC)C(=N2)C)CC#N

InChI

InChI=1S/C17H16N6O2/c1-9-12(6-7-18)15(24)22-17(19-9)23-16-20-10(2)13-8-11(25-3)4-5-14(13)21-16/h4-5,8H,6H2,1-3H3,(H2,19,20,21,22,23,24)