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

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxidanylidene-1H-pyridine-3-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-oxo-1H-pyridine-3-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(2-methoxyethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-keto-1H-pyridine-3-carboxamide Formula: C18H23N7O3S MolecularWeight: 417.48532

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CNC(=O)C=C3)C(=N1)NCCOC

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3=CNC(=O)C=C3)C(=N1)NCCOC

InChI

InChI=1S/C18H23N7O3S/c1-3-29-18-23-15(19-7-9-28-2)13-11-22-25(16(13)24-18)8-6-20-17(27)12-4-5-14(26)21-10-12/h4-5,10-11H,3,6-9H2,1-2H3,(H,20,27)(H,21,26)(H,19,23,24)