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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Formula: C23H27N7OS MolecularWeight: 449.57178

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H27N7OS/c1-4-32-23-27-20(26-16(2)3)19-15-25-30(21(19)28-23)14-11-24-22(31)17-7-9-18(10-8-17)29-12-5-6-13-29/h5-10,12-13,15-16H,4,11,14H2,1-3H3,(H,24,31)(H,26,27,28)