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

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-amino]ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-amino]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]amino]acetamide Formula: C21H29N5O4 MolecularWeight: 415.48606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O4/c1-7-26(11-19(27)25-21(4,12-22)13(2)3)10-18-23-15-9-17(30-6)16(29-5)8-14(15)20(28)24-18/h8-9,13H,7,10-11H2,1-6H3,(H,25,27)(H,23,24,28)/t21-/m1/s1