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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1H-pyridazine-3-carboxamide Formula: C17H22N8O2S MolecularWeight: 402.47398

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NNC(=O)C=C3)SCC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=NNC(=O)C=C3)SCC

InChI

InChI=1S/C17H22N8O2S/c1-3-7-18-14-11-10-20-25(15(11)22-17(21-14)28-4-2)9-8-19-16(27)12-5-6-13(26)24-23-12/h5-6,10H,3-4,7-9H2,1-2H3,(H,19,27)(H,24,26)(H,18,21,22)