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

Systemtic Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-yl-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(1-pyrrolidinyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-(6-ethylsulfanyl-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-pyrrolidino-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C19H24N8O2S MolecularWeight: 428.51126

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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)N4CCCC4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=NN(C(=O)C=C3)C)C(=N1)N4CCCC4

InChI

InChI=1S/C19H24N8O2S/c1-3-30-19-22-16(26-9-4-5-10-26)13-12-21-27(17(13)23-19)11-8-20-18(29)14-6-7-15(28)25(2)24-14/h6-7,12H,3-5,8-11H2,1-2H3,(H,20,29)