(2R)-1-(azepan-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propan-1-one Formula: C20H23N5OS MolecularWeight: 381.49452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H23N5OS/c1-15(20(26)24-11-7-2-3-8-12-24)27-19-17-13-23-25(18(17)21-14-22-19)16-9-5-4-6-10-16/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3/t15-/m1/s1