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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C21H19BrN6O2S MolecularWeight: 499.38356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC=CC=C3OC)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C21H19BrN6O2S/c1-12-18-19(23)28(14-9-7-13(22)8-10-14)21(25-20(18)27-26-12)31-11-17(29)24-15-5-3-4-6-16(15)30-2/h3-10H,11,23H2,1-2H3,(H,24,29)