N-(2-methoxy-5-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-14-9-10-19(29-3)18(11-14)26-21(28)15(2)30-22-17-12-25-27(20(17)23-13-24-22)16-7-5-4-6-8-16/h4-13,15H,1-3H3,(H,26,28)