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

Systemtic Name: N-(4-methoxyphenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Openeye Name: N-(4-methoxyphenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: N-(4-methoxyphenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanamide IUPAC Name: N-(4-methoxyphenyl)-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-(4-methoxyphenyl)propionamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3S/c1-13(19(27)23-14-8-10-16(29-2)11-9-14)30-21-24-18-17(20(28)25-21)12-22-26(18)15-6-4-3-5-7-15/h3-13,22H,1-2H3,(H,23,27)