N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[6-ethylsulfanyl-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[6-(ethylthio)-4-(2-methylpropylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[2-[6-(ethylthio)-4-(isobutylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C18H27N7O2S MolecularWeight: 405.51768

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)NCC(C)C

Isomeric SMILES

CCSC1=NC2=C(C=NN2CCNC(=O)C3CCC(=O)N3)C(=N1)NCC(C)C

InChI

InChI=1S/C18H27N7O2S/c1-4-28-18-23-15(20-9-11(2)3)12-10-21-25(16(12)24-18)8-7-19-17(27)13-5-6-14(26)22-13/h10-11,13H,4-9H2,1-3H3,(H,19,27)(H,22,26)(H,20,23,24)