N-[(4-chlorophenyl)methyl]-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-3-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-[(4-chlorophenyl)methyl]-3-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-[(4-chlorophenyl)methyl]-3-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-3-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(4-chlorobenzyl)-3-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC(=O)NCC4=CC=C(C=C4)Cl

InChI

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