N-[(4-fluorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(4-fluorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(4-fluorophenyl)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(4-fluorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(4-fluorobenzyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C21H18FN5OS MolecularWeight: 407.463923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18FN5OS/c1-14(20(28)23-11-15-7-9-16(22)10-8-15)29-21-18-12-26-27(19(18)24-13-25-21)17-5-3-2-4-6-17/h2-10,12-14H,11H2,1H3,(H,23,28)