N-cyclohexyl-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-cyclohexyl-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-cyclohexyl-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-cyclohexyl-N-ethyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-cyclohexyl-N-ethyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-cyclohexyl-N-ethyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCN(C1CCCCC1)C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H27N5OS/c1-3-26(17-10-6-4-7-11-17)22(28)16(2)29-21-19-14-25-27(20(19)23-15-24-21)18-12-8-5-9-13-18/h5,8-9,12-17H,3-4,6-7,10-11H2,1-2H3