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

Systemtic Name: (2S)-2-azanyl-N-[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]-3-oxidanyl-butanamide Openeye Name: (2S)-2-amino-N-[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]-3-hydroxy-butanamide CAS Name: (2S)-2-amino-N-[3-(2-amino-6-chloro-4-quinazolinyl)phenyl]-3-hydroxybutanamide IUPAC Name: (2S)-2-amino-N-[3-(2-amino-6-chloroquinazolin-4-yl)phenyl]-3-hydroxybutanamide Traditional Name: (2S)-2-amino-N-[3-(2-amino-6-chloro-quinazolin-4-yl)phenyl]-3-hydroxy-butyramide Formula: C18H18ClN5O2 MolecularWeight: 371.82082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NC1=CC=CC(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)N)O

Isomeric SMILES

CC([C@@H](C(=O)NC1=CC=CC(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)N)O

InChI

InChI=1S/C18H18ClN5O2/c1-9(25)15(20)17(26)22-12-4-2-3-10(7-12)16-13-8-11(19)5-6-14(13)23-18(21)24-16/h2-9,15,25H,20H2,1H3,(H,22,26)(H2,21,23,24)/t9?,15-/m0/s1