N-(3-chloranyl-2-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5OS/c1-13-17(22)9-6-10-18(13)26-20(28)14(2)29-21-16-11-25-27(19(16)23-12-24-21)15-7-4-3-5-8-15/h3-12,14H,1-2H3,(H,26,28)