3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-[4-(4-methylphenoxy)phenyl]propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylphenoxy)phenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(4-methylphenoxy)phenyl]propionamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C22H21N5O3/c1-15-3-7-17(8-4-15)30-18-9-5-16(6-10-18)25-20(28)11-12-27-14-23-21-19(22(27)29)13-24-26(21)2/h3-10,13-14H,11-12H2,1-2H3,(H,25,28)