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

Systemtic Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-[1-(4-butylphenyl)-2-methylpropyl]-2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-[1-(4-butylphenyl)-2-methylpropyl]-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-[1-(4-butylphenyl)-2-methyl-propyl]-2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C22H29N5O2/c1-5-6-7-16-8-10-17(11-9-16)20(15(2)3)25-19(28)13-27-14-23-21-18(22(27)29)12-24-26(21)4/h8-12,14-15,20H,5-7,13H2,1-4H3,(H,25,28)