6-(phenylmethylsulfanyl)-N-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 6-(phenylmethylsulfanyl)-N-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 6-benzylsulfanyl-N-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 6-(phenylmethylthio)-N-[(E)-2-pyrrolylidenemethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: 6-benzylsulfanyl-N-[(E)-pyrrol-2-ylidenemethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-[(E)-pyrrol-2-ylidenemethyl]amine Formula: C17H14N6S MolecularWeight: 334.39826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)NC=C4C=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N/C=C/4\C=CC=N4

InChI

InChI=1S/C17H14N6S/c1-2-5-12(6-3-1)11-24-17-21-15(14-10-20-23-16(14)22-17)19-9-13-7-4-8-18-13/h1-10H,11H2,(H2,19,20,21,22,23)/b13-9+