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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-chlorobenzyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C21H18ClN5OS MolecularWeight: 423.91852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5OS/c1-14(20(28)23-11-15-7-5-6-10-18(15)22)29-21-17-12-26-27(19(17)24-13-25-21)16-8-3-2-4-9-16/h2-10,12-14H,11H2,1H3,(H,23,28)