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

Systemtic Name: N-(3-methylbutyl)-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Openeye Name: N-isopentyl-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide CAS Name: N-(3-methylbutyl)-3-[[oxo-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylamino]methyl]amino]propanamide IUPAC Name: N-(3-methylbutyl)-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propanamide Traditional Name: N-isoamyl-3-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)methylcarbamoylamino]propionamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCNC(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCNC(=O)CCNC(=O)NCC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3

InChI

InChI=1S/C21H27N7O3/c1-14(2)8-10-22-18(29)9-11-23-21(31)24-13-17-26-19-16(20(30)27-17)12-25-28(19)15-6-4-3-5-7-15/h3-7,12,14,25H,8-11,13H2,1-2H3,(H,22,29)(H2,23,24,31)