(2S)-2-azanyl-N-[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]-3-cyano-propanamide

Systemtic Name: (2S)-2-azanyl-N-[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]-3-cyano-propanamide Openeye Name: (2S)-2-amino-N-[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]-3-cyano-propanamide CAS Name: (2S)-2-amino-N-[3-(2-amino-6-chloro-4-quinazolinyl)phenyl]-3-cyanopropanamide IUPAC Name: (2S)-2-amino-N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-3-cyanopropanamide Traditional Name: (2S)-2-amino-N-[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]-3-cyano-propionamide Formula: C18H15ClN6O MolecularWeight: 366.8043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CC#N)N)C2=NC(=NC3=C2C=C(C=C3)Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)[C@H](CC#N)N)C2=NC(=NC3=C2C=C(C=C3)Cl)N

InChI

InChI=1S/C18H15ClN6O/c19-11-4-5-15-13(9-11)16(25-18(22)24-15)10-2-1-3-12(8-10)23-17(26)14(21)6-7-20/h1-5,8-9,14H,6,21H2,(H,23,26)(H2,22,24,25)/t14-/m0/s1