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

Systemtic Name: methyl 3-[2-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC(CC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O4/c1-22-17-13(9-20-22)18(26)23(11-19-17)10-15(24)21-14(8-16(25)27-2)12-6-4-3-5-7-12/h3-7,9,11,14H,8,10H2,1-2H3,(H,21,24)