2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-yl-butan-1-one

Systemtic Name: 2-[4-azanyl-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-yl-butan-1-one Openeye Name: 2-[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholino-butan-1-one CAS Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-6-pyrazolo[3,4-d]pyrimidinyl]thio]-1-(4-morpholinyl)-1-butanone IUPAC Name: 2-[4-amino-5-(4-bromophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl-1-morpholin-4-ylbutan-1-one Traditional Name: 2-[[4-amino-5-(4-bromophenyl)-3-methyl-pyrazolo[3,4-d]pyrimidin-6-yl]thio]-1-morpholino-butan-1-one Formula: C20H23BrN6O2S MolecularWeight: 491.40462

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

Isomeric SMILES

CCC(C(=O)N1CCOCC1)SC2=NC3=NN=C(C3=C(N2C4=CC=C(C=C4)Br)N)C

InChI

InChI=1S/C20H23BrN6O2S/c1-3-15(19(28)26-8-10-29-11-9-26)30-20-23-18-16(12(2)24-25-18)17(22)27(20)14-6-4-13(21)5-7-14/h4-7,15H,3,8-11,22H2,1-2H3