3-methyl-2-[(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-oxidanylidene-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]butanoic acid Openeye Name: 3-methyl-2-[(4-oxo-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]butanoic acid CAS Name: 3-methyl-2-[(4-oxo-1,5-diphenyl-6-pyrazolo[3,4-d]pyrimidinyl)amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-oxo-1,5-diphenylpyrazolo[3,4-d]pyrimidin-6-yl)amino]butanoic acid Traditional Name: 2-[(4-keto-1,5-diphenyl-pyrazolo[3,4-d]pyrimidin-6-yl)amino]-3-methyl-butyric acid Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

Isomeric SMILES

CC(C)C(C(=O)O)NC1=NC2=C(C=NN2C3=CC=CC=C3)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O3/c1-14(2)18(21(29)30)24-22-25-19-17(13-23-27(19)16-11-7-4-8-12-16)20(28)26(22)15-9-5-3-6-10-15/h3-14,18H,1-2H3,(H,24,25)(H,29,30)