(2S)-N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propanamide

Systemtic Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]amino]propanamide Openeye Name: (2S)-N-(3-cyano-2-thienyl)-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanamide CAS Name: (2S)-N-(3-cyano-2-thiophenyl)-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanamide IUPAC Name: (2S)-N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]propanamide Traditional Name: (2S)-N-(3-cyano-2-thienyl)-2-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-amino]propionamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C#N)N(C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=CS1)C#N)N(C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C18H17N5O2S/c1-11(16(24)22-18-12(9-19)7-8-26-18)23(2)10-15-20-14-6-4-3-5-13(14)17(25)21-15/h3-8,11H,10H2,1-2H3,(H,22,24)(H,20,21,25)/t11-/m0/s1