ethyl 2,4-dimethyl-5-[[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)amino]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)amino]methylidene]pyrrole-3-carboxylate Traditional Name: 5-[[(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)amino]methylene]-2,4-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4)N=C1C)C

InChI

InChI=1S/C21H20N6O3/c1-4-30-21(29)18-13(2)17(25-14(18)3)11-23-26-12-22-19-16(20(26)28)10-24-27(19)15-8-6-5-7-9-15/h5-12,23H,4H2,1-3H3