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

Systemtic Name: 7-hexylsulfanyl-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine Openeye Name: 7-hexylsulfanyl-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine CAS Name: 7-(hexylthio)-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine IUPAC Name: 7-hexylsulfanyl-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine Traditional Name: 7-(hexylthio)-2-methyl-3-[(9E,12E)-octadeca-9,12-dienoxy]pyrazolo[4,3-d]pyrimidine Formula: C30H50N4OS MolecularWeight: 514.8092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC=NC2=C(N(N=C21)C)OCCCCCCCCC=CCC=CCCCCC

Isomeric SMILES

CCCCCCSC1=NC=NC2=C(N(N=C21)C)OCCCCCCCC/C=C/C/C=C/CCCCC

InChI

InChI=1S/C30H50N4OS/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-35-30-28-27(33-34(30)3)29(32-26-31-28)36-25-23-9-7-5-2/h11-12,14-15,26H,4-10,13,16-25H2,1-3H3/b12-11+,15-14+