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

Systemtic Name: 1-(4-bromophenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-bromophenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one CAS Name: 1-(4-bromophenyl)-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-butanone IUPAC Name: 1-(4-bromophenyl)-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutan-1-one Traditional Name: 1-(4-bromophenyl)-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butan-1-one Formula: C21H17BrN4OS MolecularWeight: 453.35488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCC(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCC(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN4OS/c22-16-10-8-15(9-11-16)19(27)7-4-12-28-21-18-13-25-26(20(18)23-14-24-21)17-5-2-1-3-6-17/h1-3,5-6,8-11,13-14H,4,7,12H2