N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-2-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-2-oxo-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-2-oxo-3-pyridinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-2-keto-1-methyl-nicotinamide Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O2S/c1-5-30-20-24-16(22-11-13(2)3)15-12-23-27(17(15)25-20)10-8-21-18(28)14-7-6-9-26(4)19(14)29/h6-7,9,12-13H,5,8,10-11H2,1-4H3,(H,21,28)(H,22,24,25)