3-[2-azanyl-6-(3-phenoxyphenyl)pyrimidin-4-yl]-6-chloranyl-3H-cinnolin-4-one

Systemtic Name: 3-[2-azanyl-6-(3-phenoxyphenyl)pyrimidin-4-yl]-6-chloranyl-3H-cinnolin-4-one Openeye Name: 3-[2-amino-6-(3-phenoxyphenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one CAS Name: 3-[2-amino-6-(3-phenoxyphenyl)-4-pyrimidinyl]-6-chloro-3H-cinnolin-4-one IUPAC Name: 3-[2-amino-6-(3-phenoxyphenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Traditional Name: 3-[2-amino-6-(3-phenoxyphenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Formula: C24H16ClN5O2 MolecularWeight: 441.86914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=CC(=NC(=N3)N)C4C(=O)C5=C(C=CC(=C5)Cl)N=N4

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=CC(=NC(=N3)N)C4C(=O)C5=C(C=CC(=C5)Cl)N=N4

InChI

InChI=1S/C24H16ClN5O2/c25-15-9-10-19-18(12-15)23(31)22(30-29-19)21-13-20(27-24(26)28-21)14-5-4-8-17(11-14)32-16-6-2-1-3-7-16/h1-13,22H,(H2,26,27,28)