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

Systemtic Name: 2-(2-methylphenoxy)ethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: 2-(2-methylphenoxy)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-(2-methylphenoxy)ethyl ester IUPAC Name: 2-(2-methylphenoxy)ethyl 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-(2-methylphenoxy)ethyl ester Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCOC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CC1=CC=CC=C1OCCOC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C18H20N4O4/c1-13-5-3-4-6-15(13)25-9-10-26-16(23)7-8-22-12-19-17-14(18(22)24)11-20-21(17)2/h3-6,11-12H,7-10H2,1-2H3