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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-methoxyethyl)butanamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(2-methoxyethyl)butanamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(2-methoxyethyl)butyramide Formula: C19H23BrN6O2S MolecularWeight: 479.39392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN6O2S/c1-4-14(18(27)22-9-10-28-3)29-19-23-17-15(11(2)24-25-17)16(21)26(19)13-7-5-12(20)6-8-13/h5-8,14H,4,9-10,21H2,1-3H3,(H,22,27)