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

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-N-(tetrahydrofurfuryl)acetamide Formula: C19H21BrN6O2S MolecularWeight: 477.37804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)Br)N

Isomeric SMILES

CC1=NN=C2C1=C(N(C(=N2)SCC(=O)NCC3CCCO3)C4=CC=C(C=C4)Br)N

InChI

InChI=1S/C19H21BrN6O2S/c1-11-16-17(21)26(13-6-4-12(20)5-7-13)19(23-18(16)25-24-11)29-10-15(27)22-9-14-3-2-8-28-14/h4-7,14H,2-3,8-10,21H2,1H3,(H,22,27)