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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxo-pyridazine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-methyl-6-oxo-3-pyridazinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1-methyl-pyridazine-3-carboxamide Formula: C18H24N8O2S MolecularWeight: 416.50056

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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)NC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N8O2S/c1-5-29-18-22-15(21-11(2)3)12-10-20-26(16(12)23-18)9-8-19-17(28)13-6-7-14(27)25(4)24-13/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,28)(H,21,22,23)