N-ethyl-2-[6-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-propanamide

Systemtic Name: N-ethyl-2-[6-[1-(ethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-propanamide Openeye Name: N-ethyl-2-[6-[2-(ethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-propanamide CAS Name: N-ethyl-2-[[6-[[1-(ethylamino)-1-oxopropan-2-yl]thio]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]propanamide IUPAC Name: N-ethyl-2-[6-[1-(ethylamino)-1-oxopropan-2-yl]sulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Traditional Name: N-ethyl-2-[[6-[[2-(ethylamino)-2-keto-1-methyl-ethyl]thio]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]propionamide Formula: C21H26N6O2S2 MolecularWeight: 458.60014

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(C)C(=O)NCC

Isomeric SMILES

CCNC(=O)C(C)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(C)C(=O)NCC

InChI

InChI=1S/C21H26N6O2S2/c1-5-22-18(28)13(3)30-20-16-12-24-27(15-10-8-7-9-11-15)17(16)25-21(26-20)31-14(4)19(29)23-6-2/h7-14H,5-6H2,1-4H3,(H,22,28)(H,23,29)