3-(2-azanyl-6-phenyl-pyrimidin-4-yl)-6-chloranyl-3H-cinnolin-4-one

Systemtic Name: 3-(2-azanyl-6-phenyl-pyrimidin-4-yl)-6-chloranyl-3H-cinnolin-4-one Openeye Name: 3-(2-amino-6-phenyl-pyrimidin-4-yl)-6-chloro-3H-cinnolin-4-one CAS Name: 3-(2-amino-6-phenyl-4-pyrimidinyl)-6-chloro-3H-cinnolin-4-one IUPAC Name: 3-(2-amino-6-phenylpyrimidin-4-yl)-6-chloro-3H-cinnolin-4-one Traditional Name: 3-(2-amino-6-phenyl-pyrimidin-4-yl)-6-chloro-3H-cinnolin-4-one Formula: C18H12ClN5O MolecularWeight: 349.77378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C18H12ClN5O/c19-11-6-7-13-12(8-11)17(25)16(24-23-13)15-9-14(21-18(20)22-15)10-4-2-1-3-5-10/h1-9,16H,(H2,20,21,22)