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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-(1-pyrrolyl)benzamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-ylbenzamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-pyrrol-1-yl-benzamide Formula: C24H29N7OS MolecularWeight: 463.59836

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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)NCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29N7OS/c1-4-33-24-28-21(26-15-17(2)3)20-16-27-31(22(20)29-24)14-11-25-23(32)18-7-9-19(10-8-18)30-12-5-6-13-30/h5-10,12-13,16-17H,4,11,14-15H2,1-3H3,(H,25,32)(H,26,28,29)