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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide CAS Name: N-[3-[[anilino(oxo)methyl]amino]phenyl]-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[3-(phenylcarbamoylamino)phenyl]propionamide Formula: C22H21N7O3 MolecularWeight: 431.44724

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC(=CC=C3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H21N7O3/c1-28-20-18(13-24-28)21(31)29(14-23-20)11-10-19(30)25-16-8-5-9-17(12-16)27-22(32)26-15-6-3-2-4-7-15/h2-9,12-14H,10-11H2,1H3,(H,25,30)(H2,26,27,32)