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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-p-anisyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-15(21(28)23-12-16-8-10-18(29-2)11-9-16)30-22-19-13-26-27(20(19)24-14-25-22)17-6-4-3-5-7-17/h3-11,13-15H,12H2,1-2H3,(H,23,28)