N-[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[5-(2-amino-6-chloro-4-quinazolinyl)-2-methylphenyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[5-(2-amino-6-chloroquinazolin-4-yl)-2-methylphenyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C21H16ClN5O2 MolecularWeight: 405.83704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C21H16ClN5O2/c1-12-4-5-13(9-18(12)24-20(28)14-3-2-8-27(29)11-14)19-16-10-15(22)6-7-17(16)25-21(23)26-19/h2-11H,1H3,(H,24,28)(H2,23,25,26)