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

Systemtic Name: 1-phenyl-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one Openeye Name: 1-phenyl-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butan-1-one CAS Name: 1-phenyl-4-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-butanone IUPAC Name: 1-phenyl-4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutan-1-one Traditional Name: 1-phenyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butan-1-one Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CCCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N4OS/c26-19(16-8-3-1-4-9-16)12-7-13-27-21-18-14-24-25(20(18)22-15-23-21)17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2