N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: 2-[(6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)thio]-N-piperonyl-propionamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)SC(C)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H21N5O3S/c1-14(22(29)24-11-16-8-9-19-20(10-16)31-13-30-19)32-23-18-12-25-28(17-6-4-3-5-7-17)21(18)26-15(2)27-23/h3-10,12,14H,11,13H2,1-2H3,(H,24,29)