7-hexadecylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one

Systemtic Name: 7-hexadecylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Openeye Name: 7-hexadecylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one CAS Name: 7-(hexadecylthio)-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one IUPAC Name: 7-hexadecylsulfanyl-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Traditional Name: 7-(cetylthio)-2-methyl-1H-pyrazolo[4,3-d]pyrimidin-3-one Formula: C22H38N4OS MolecularWeight: 406.62832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=NC=NC2=C1NN(C2=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=NC=NC2=C1NN(C2=O)C

InChI

InChI=1S/C22H38N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-21-19-20(23-18-24-21)22(27)26(2)25-19/h18,25H,3-17H2,1-2H3