6-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate

Systemtic Name: 6-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate Openeye Name: 6-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate CAS Name: 6-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]hexanoate IUPAC Name: 6-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate Traditional Name: 6-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]hexanoate Formula: C19H21N6O4- MolecularWeight: 397.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)NCCCCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CNC(=O)NCCCCCC(=O)[O-]

InChI

InChI=1S/C19H22N6O4/c26-16(27)9-5-2-6-10-20-19(29)21-12-15-23-17-14(18(28)24-15)11-22-25(17)13-7-3-1-4-8-13/h1,3-4,7-8,11,22H,2,5-6,9-10,12H2,(H,26,27)(H2,20,21,29)/p-1