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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C19H26N8O2S MolecularWeight: 430.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NN(C(=O)C=C3)C)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NN(C(=O)C=C3)C)C(=N1)NCC(C)C

InChI

InChI=1S/C19H26N8O2S/c1-5-30-19-23-16(21-10-12(2)3)13-11-22-27(17(13)24-19)9-8-20-18(29)14-6-7-15(28)26(4)25-14/h6-7,11-12H,5,8-10H2,1-4H3,(H,20,29)(H,21,23,24)