2-[butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-N-[(2S)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[butyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]-N-[(2S)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[butyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[butyl-[(4-keto-1H-quinazolin-2-yl)methyl]amino]-N-[(1S)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C21H29N5O2 MolecularWeight: 383.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O2/c1-5-6-11-26(13-19(27)25-21(4,14-22)15(2)3)12-18-23-17-10-8-7-9-16(17)20(28)24-18/h7-10,15H,5-6,11-13H2,1-4H3,(H,25,27)(H,23,24,28)/t21-/m1/s1