N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Formula: C23H27N7O2S MolecularWeight: 465.57118

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=N1)NCCOC

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CC=C(C=C3)N4C=CC=C4)C(=N1)NCCOC

InChI

InChI=1S/C23H27N7O2S/c1-3-33-23-27-20(24-11-15-32-2)19-16-26-30(21(19)28-23)14-10-25-22(31)17-6-8-18(9-7-17)29-12-4-5-13-29/h4-9,12-13,16H,3,10-11,14-15H2,1-2H3,(H,25,31)(H,24,27,28)