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

Systemtic Name: 3-methoxy-1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazole-4-carboxamide Openeye Name: N-[2-[4-(isobutylamino)-6-methylsulfanyl-pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide CAS Name: 3-methoxy-1-methyl-N-[2-[4-(2-methylpropylamino)-6-(methylthio)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-4-pyrazolecarboxamide IUPAC Name: 3-methoxy-1-methyl-N-[2-[4-(2-methylpropylamino)-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl]ethyl]pyrazole-4-carboxamide Traditional Name: N-[2-[4-(isobutylamino)-6-(methylthio)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methyl-pyrazole-4-carboxamide Formula: C18H26N8O2S MolecularWeight: 418.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CN(N=C3OC)C)SC

Isomeric SMILES

CC(C)CNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CN(N=C3OC)C)SC

InChI

InChI=1S/C18H26N8O2S/c1-11(2)8-20-14-12-9-21-26(15(12)23-18(22-14)29-5)7-6-19-16(27)13-10-25(3)24-17(13)28-4/h9-11H,6-8H2,1-5H3,(H,19,27)(H,20,22,23)