2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzyl-acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-benzylacetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-benzyl-acetamide Formula: C21H19BrN6OS MolecularWeight: 483.38416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3=CC=CC=C3)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C21H19BrN6OS/c1-13-18-19(23)28(16-9-7-15(22)8-10-16)21(25-20(18)27-26-13)30-12-17(29)24-11-14-5-3-2-4-6-14/h2-10H,11-12,23H2,1H3,(H,24,29)