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

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-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-(2-methoxy-5-methyl-phenyl)propionamide Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C)SC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3S/c1-13-9-10-18(30-3)17(11-13)24-20(28)14(2)31-22-25-19-16(21(29)26-22)12-23-27(19)15-7-5-4-6-8-15/h4-12,14,23H,1-3H3,(H,24,28)