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

Systemtic Name: propyl 4-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: propyl 4-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid propyl ester Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C19H21N5O4/c1-3-10-28-19(27)13-4-6-14(7-5-13)22-16(25)8-9-24-12-20-17-15(18(24)26)11-21-23(17)2/h4-7,11-12H,3,8-10H2,1-2H3,(H,22,25)