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

Systemtic Name: N-(4-methylphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: 2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(p-tolyl)propanamide CAS Name: N-(4-methylphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(4-methylphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-(p-tolyl)propionamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-14-8-10-16(11-9-14)25-20(27)15(2)28-21-18-12-24-26(19(18)22-13-23-21)17-6-4-3-5-7-17/h3-13,15H,1-2H3,(H,25,27)