3-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide Openeye Name: 3-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide CAS Name: 3-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]thiophene-2-carboxamide Traditional Name: 3-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]thiophene-2-carboxamide Formula: C18H15N5OS2 MolecularWeight: 381.4746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1=C(SC=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H15N5OS2/c1-11-5-6-25-15(11)17(24)22-13-4-2-3-12(7-13)9-26-18-14-8-21-23-16(14)19-10-20-18/h2-8,10H,9H2,1H3,(H,22,24)(H,19,20,21,23)