methyl 4-methyl-3-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C17H17N5O4/c1-10-4-5-11(17(25)26-3)6-13(10)20-14(23)8-22-9-18-15-12(16(22)24)7-19-21(15)2/h4-7,9H,8H2,1-3H3,(H,20,23)