N-[(4-methoxyphenyl)methyl]-2-[(5-naphthalen-1-yl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-[(5-naphthalen-1-yl-4-oxidanylidene-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-[[5-(1-naphthyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]acetamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-[[5-(1-naphthalenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]acetamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[(5-naphthalen-1-yl-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: 2-[[4-keto-5-(1-naphthyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-p-anisyl-acetamide Formula: C25H21N5O3S MolecularWeight: 471.53094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H21N5O3S/c1-33-18-11-9-16(10-12-18)13-26-22(31)15-34-25-28-23-20(14-27-29-23)24(32)30(25)21-8-4-6-17-5-2-3-7-19(17)21/h2-12,14H,13,15H2,1H3,(H,26,31)(H,27,29)