(2R)-2-azanyl-N-[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]-3-(1H-imidazol-5-yl)propanamide

Systemtic Name: (2R)-2-azanyl-N-[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]-3-(1H-imidazol-5-yl)propanamide Openeye Name: (2R)-2-amino-N-[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]-3-(1H-imidazol-5-yl)propanamide CAS Name: (2R)-2-amino-N-[3-(2-amino-6-chloro-4-quinazolinyl)phenyl]-3-(1H-imidazol-5-yl)propanamide IUPAC Name: (2R)-2-amino-N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-3-(1H-imidazol-5-yl)propanamide Traditional Name: (2R)-2-amino-N-[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]-3-(1H-imidazol-5-yl)propionamide Formula: C20H18ClN7O MolecularWeight: 407.85622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C(CC2=CN=CN2)N)C3=NC(=NC4=C3C=C(C=C4)Cl)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)[C@@H](CC2=CN=CN2)N)C3=NC(=NC4=C3C=C(C=C4)Cl)N

InChI

InChI=1S/C20H18ClN7O/c21-12-4-5-17-15(7-12)18(28-20(23)27-17)11-2-1-3-13(6-11)26-19(29)16(22)8-14-9-24-10-25-14/h1-7,9-10,16H,8,22H2,(H,24,25)(H,26,29)(H2,23,27,28)/t16-/m1/s1