ethyl (2S)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanoate

Systemtic Name: ethyl (2S)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanoate Openeye Name: ethyl (2S)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetate CAS Name: (2S)-2-phenyl-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-phenyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: (2S)-2-phenyl-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetic acid ethyl ester Formula: C21H18N4O2S MolecularWeight: 390.45822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](C1=CC=CC=C1)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O2S/c1-2-27-21(26)18(15-9-5-3-6-10-15)28-20-17-13-24-25(19(17)22-14-23-20)16-11-7-4-8-12-16/h3-14,18H,2H2,1H3/t18-/m0/s1