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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)propanamide Traditional Name: N-(3-chlorobenzyl)-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:

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)CCC(=O)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H18ClN5O2/c22-15-6-4-5-14(11-15)12-23-19(28)10-9-18-25-20-17(21(29)26-18)13-24-27(20)16-7-2-1-3-8-16/h1-8,11,13,24H,9-10,12H2,(H,23,28)