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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-1H-pyridazine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isopropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(propan-2-ylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(propan-2-ylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridazine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isopropylamino)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:

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

Isomeric SMILES

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

InChI

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