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

Systemtic Name: N-(3-methoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(3-methoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(3-methoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(3-methoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(3-methoxyphenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)OC)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O2S/c1-14(20(27)25-15-7-6-10-17(11-15)28-2)29-21-18-12-24-26(19(18)22-13-23-21)16-8-4-3-5-9-16/h3-14H,1-2H3,(H,25,27)