ethyl 4-[[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-methyl-2-(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-3-pyrazolyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)pyrazol-3-yl]amino]butyric acid ethyl ester Formula: C21H21N7O3 MolecularWeight: 419.43654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=NN1C2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C21H21N7O3/c1-3-31-19(30)10-9-18(29)25-17-11-14(2)26-28(17)21-16-12-24-27(20(16)22-13-23-21)15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3,(H,25,29)