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

Systemtic Name: 3-[2-azanyl-6-(4-dimethylaminophenyl)pyrimidin-4-yl]-6-chloranyl-3H-cinnolin-4-one Openeye Name: 3-[2-amino-6-(4-dimethylaminophenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one CAS Name: 3-[2-amino-6-(4-dimethylaminophenyl)-4-pyrimidinyl]-6-chloro-3H-cinnolin-4-one IUPAC Name: 3-[2-amino-6-(4-dimethylaminophenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Traditional Name: 3-[2-amino-6-(4-dimethylaminophenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Formula: C20H17ClN6O MolecularWeight: 392.84158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN6O/c1-27(2)13-6-3-11(4-7-13)16-10-17(24-20(22)23-16)18-19(28)14-9-12(21)5-8-15(14)25-26-18/h3-10,18H,1-2H3,(H2,22,23,24)