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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H19N5OS/c1-15(20(27)22-12-16-8-4-2-5-9-16)28-21-18-13-25-26(19(18)23-14-24-21)17-10-6-3-7-11-17/h2-11,13-15H,12H2,1H3,(H,22,27)