2-ethoxy-N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide

Systemtic Name: 2-ethoxy-N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Openeye Name: 2-ethoxy-N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide CAS Name: 2-ethoxy-N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-3-pyridinecarboxamide IUPAC Name: 2-ethoxy-N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyridine-3-carboxamide Traditional Name: 2-ethoxy-N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]nicotinamide Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCC(C)C

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)NCCN2C3=C(C=N2)C(=NC(=N3)SC)NCC(C)C

InChI

InChI=1S/C20H27N7O2S/c1-5-29-19-14(7-6-8-22-19)18(28)21-9-10-27-17-15(12-24-27)16(23-11-13(2)3)25-20(26-17)30-4/h6-8,12-13H,5,9-11H2,1-4H3,(H,21,28)(H,23,25,26)