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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethyl-butanamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N,N-diethylbutanamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N,N-diethylbutanamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N,N-diethyl-butyramide Formula: C20H25BrN6OS MolecularWeight: 477.4211

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)Br)N)C

Isomeric SMILES

CCC(C(=O)N(CC)CC)SC1=NC2=NN=C(C2=C(N1C3=CC=C(C=C3)Br)N)C

InChI

InChI=1S/C20H25BrN6OS/c1-5-15(19(28)26(6-2)7-3)29-20-23-18-16(12(4)24-25-18)17(22)27(20)14-10-8-13(21)9-11-14/h8-11,15H,5-7,22H2,1-4H3