1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]ethanone Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C22H23N5OS/c1-4-10-26-15(2)11-18(16(26)3)20(28)13-29-22-19-12-25-27(21(19)23-14-24-22)17-8-6-5-7-9-17/h5-9,11-12,14H,4,10,13H2,1-3H3