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

Systemtic Name: 3-[2-azanyl-6-(4-methylsulfanylphenyl)pyrimidin-4-yl]-6-chloranyl-3H-cinnolin-4-one Openeye Name: 3-[2-amino-6-(4-methylsulfanylphenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one CAS Name: 3-[2-amino-6-[4-(methylthio)phenyl]-4-pyrimidinyl]-6-chloro-3H-cinnolin-4-one IUPAC Name: 3-[2-amino-6-(4-methylsulfanylphenyl)pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Traditional Name: 3-[2-amino-6-[4-(methylthio)phenyl]pyrimidin-4-yl]-6-chloro-3H-cinnolin-4-one Formula: C19H14ClN5OS MolecularWeight: 395.86536

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3C(=O)C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C19H14ClN5OS/c1-27-12-5-2-10(3-6-12)15-9-16(23-19(21)22-15)17-18(26)13-8-11(20)4-7-14(13)24-25-17/h2-9,17H,1H3,(H2,21,22,23)