3-hexadecoxy-2-methyl-7-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidine

Systemtic Name: 3-hexadecoxy-2-methyl-7-(phenylmethylsulfanyl)pyrazolo[4,3-d]pyrimidine Openeye Name: 7-benzylsulfanyl-3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidine CAS Name: 3-hexadecoxy-2-methyl-7-(phenylmethylthio)pyrazolo[4,3-d]pyrimidine IUPAC Name: 7-benzylsulfanyl-3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidine Traditional Name: 7-(benzylthio)-3-cetyloxy-2-methyl-pyrazolo[4,3-d]pyrimidine Formula: C29H44N4OS MolecularWeight: 496.75086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC3=CC=CC=C3

InChI

InChI=1S/C29H44N4OS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-34-29-27-26(32-33(29)2)28(31-24-30-27)35-23-25-20-17-16-18-21-25/h16-18,20-21,24H,3-15,19,22-23H2,1-2H3