N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-[6-(methylthio)-4-(propylamino)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-[6-methylsulfanyl-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-[6-(methylthio)-4-(propylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]thiophene-2-carboxamide Formula: C16H20N6OS2 MolecularWeight: 376.4996

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CS3)SC

Isomeric SMILES

CCCNC1=NC(=NC2=C1C=NN2CCNC(=O)C3=CC=CS3)SC

InChI

InChI=1S/C16H20N6OS2/c1-3-6-17-13-11-10-19-22(14(11)21-16(20-13)24-2)8-7-18-15(23)12-5-4-9-25-12/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,23)(H,17,20,21)