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

Systemtic Name: propan-2-yl 3-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O4/c1-14(2)30-19(28)11-17(15-7-5-4-6-8-15)24-18(27)9-10-26-13-22-20-16(21(26)29)12-23-25(20)3/h4-8,12-14,17H,9-11H2,1-3H3,(H,24,27)