(2S)-3-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]-2-methyl-propanenitrile Openeye Name: (2S)-3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-amino]-2-methyl-propanenitrile CAS Name: (2S)-3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-2-methylpropanenitrile IUPAC Name: (2S)-3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-2-methylpropanenitrile Traditional Name: (2S)-3-[ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]amino]-2-methyl-propionitrile Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC(C)C#N

Isomeric SMILES

CCN(CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)C[C@H](C)C#N

InChI

InChI=1S/C17H22N4O3/c1-5-21(9-11(2)8-18)10-16-19-13-7-15(24-4)14(23-3)6-12(13)17(22)20-16/h6-7,11H,5,9-10H2,1-4H3,(H,19,20,22)/t11-/m1/s1