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

Systemtic Name: methyl 3-methyl-2-[2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]pentanoate Openeye Name: methyl 3-methyl-2-[[2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]pentanoate CAS Name: 3-methyl-2-[[1-oxo-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)ethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]pentanoate Traditional Name: 2-[[2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CN1C=NC2=C(C1=O)C=NN2C3=CC=CC=C3

InChI

InChI=1S/C20H23N5O4/c1-4-13(2)17(20(28)29-3)23-16(26)11-24-12-21-18-15(19(24)27)10-22-25(18)14-8-6-5-7-9-14/h5-10,12-13,17H,4,11H2,1-3H3,(H,23,26)