N-[(4-methoxyphenyl)methyl]-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-p-anisyl-propionamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-14(20(28)23-12-15-8-10-17(30-2)11-9-15)31-22-25-19-18(21(29)26-22)13-24-27(19)16-6-4-3-5-7-16/h3-11,13-14,24H,12H2,1-2H3,(H,23,28)