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

Systemtic Name: N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-methyl-2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-benzyl-N-methyl-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C17H19N5OS MolecularWeight: 341.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC(C(=O)N(C)CC1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H19N5OS/c1-12(17(23)21(2)10-13-7-5-4-6-8-13)24-16-14-9-20-22(3)15(14)18-11-19-16/h4-9,11-12H,10H2,1-3H3