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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-(3-chloro-4-methylphenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3-(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propionamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c1-13-7-8-14(11-17(13)22)24-19(28)10-9-18-25-20-16(21(29)26-18)12-23-27(20)15-5-3-2-4-6-15/h2-8,11-12,23H,9-10H2,1H3,(H,24,28)