(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid (2-anilino-2-keto-ethyl) ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)OCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H17N5O4/c1-21-16-13(9-19-21)17(25)22(11-18-16)8-7-15(24)26-10-14(23)20-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H,20,23)