N-[(4-butylphenyl)-thiophen-2-yl-methyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-[(4-butylphenyl)-thiophen-2-yl-methyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[(4-butylphenyl)-thiophen-2-ylmethyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[(4-butylphenyl)-(2-thienyl)methyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C23H25N5O2S/c1-3-4-6-16-8-10-17(11-9-16)21(19-7-5-12-31-19)26-20(29)14-28-15-24-22-18(23(28)30)13-25-27(22)2/h5,7-13,15,21H,3-4,6,14H2,1-2H3,(H,26,29)