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

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)ethyl 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)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-(3-methyl-4-propan-2-ylphenoxy)ethyl ester IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)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-(4-isopropyl-3-methyl-phenoxy)ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCOC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCCOC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C(C)C

InChI

InChI=1S/C21H26N4O4/c1-14(2)17-6-5-16(11-15(17)3)28-9-10-29-19(26)7-8-25-13-22-20-18(21(25)27)12-23-24(20)4/h5-6,11-14H,7-10H2,1-4H3