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

Systemtic Name: N-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]-3-phenyl-propanamide Openeye Name: N-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]-3-phenyl-propanamide CAS Name: N-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]-3-phenylpropanamide IUPAC Name: N-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-3-phenylpropanamide Traditional Name: N-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]-3-phenyl-propionamide Formula: C20H16ClN5O2 MolecularWeight: 393.82634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NN2C=NC3=C(C2=O)C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H16ClN5O2/c21-15-7-4-8-16(11-15)26-19-17(12-23-26)20(28)25(13-22-19)24-18(27)10-9-14-5-2-1-3-6-14/h1-8,11-13H,9-10H2,(H,24,27)