1-(4-bromophenyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(4-bromophenyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butan-1-one Formula: C16H15BrN4OS MolecularWeight: 391.2855

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCCCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCCCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15BrN4OS/c1-21-15-13(9-20-21)16(19-10-18-15)23-8-2-3-14(22)11-4-6-12(17)7-5-11/h4-7,9-10H,2-3,8H2,1H3