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

Systemtic Name: 2-[4-azanyl-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-bromophenyl)ethanamide Openeye Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-bromophenyl)acetamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(4-bromophenyl)acetamide IUPAC Name: 2-[4-amino-5-(4-methoxyphenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(4-bromophenyl)acetamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(4-bromophenyl)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=C(C=C3)Br)C4=CC=C(C=C4)OC)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=C(C=C4)OC)N

InChI

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