2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]-7-prop-2-enylsulfanyl-pyrazolo[4,3-d]pyrimidine

Systemtic Name: 2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]-7-prop-2-enylsulfanyl-pyrazolo[4,3-d]pyrimidine Openeye Name: 7-allylsulfanyl-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine CAS Name: 2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]-7-(prop-2-enylthio)pyrazolo[4,3-d]pyrimidine IUPAC Name: 2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]-7-prop-2-enylsulfanylpyrazolo[4,3-d]pyrimidine Traditional Name: 7-(allylthio)-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine Formula: C27H42N4OS MolecularWeight: 470.71358

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC=C

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC=C

InChI

InChI=1S/C27H42N4OS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-27-25-24(30-31(27)3)26(29-23-28-25)33-22-5-2/h5,9-10,12-13,23H,2,4,6-8,11,14-22H2,1,3H3/b10-9+,13-12+