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

Systemtic Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(2-bromophenyl)methyl]-N-methyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(2-bromophenyl)methyl]-N-methyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(2-bromobenzyl)-N-methyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18BrN5OS MolecularWeight: 468.36952

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CN(CC1=CC=CC=C1Br)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18BrN5OS/c1-26(12-15-7-5-6-10-18(15)22)19(28)13-29-21-17-11-25-27(20(17)23-14-24-21)16-8-3-2-4-9-16/h2-11,14H,12-13H2,1H3