3-hexadecoxy-7-hexylsulfanyl-2-methyl-pyrazolo[4,3-d]pyrimidine

Systemtic Name: 3-hexadecoxy-7-hexylsulfanyl-2-methyl-pyrazolo[4,3-d]pyrimidine Openeye Name: 3-hexadecoxy-7-hexylsulfanyl-2-methyl-pyrazolo[4,3-d]pyrimidine CAS Name: 3-hexadecoxy-7-(hexylthio)-2-methylpyrazolo[4,3-d]pyrimidine IUPAC Name: 3-hexadecoxy-7-hexylsulfanyl-2-methylpyrazolo[4,3-d]pyrimidine Traditional Name: 3-cetyloxy-7-(hexylthio)-2-methyl-pyrazolo[4,3-d]pyrimidine Formula: C28H50N4OS MolecularWeight: 490.7878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCCCCCC

InChI

InChI=1S/C28H50N4OS/c1-4-6-8-10-11-12-13-14-15-16-17-18-19-20-22-33-28-26-25(31-32(28)3)27(30-24-29-26)34-23-21-9-7-5-2/h24H,4-23H2,1-3H3