2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone

Systemtic Name: 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone Openeye Name: 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-1-phenyl-ethanone CAS Name: 2-[(3-hexadecoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]-1-phenylethanone IUPAC Name: 2-(3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-1-phenylethanone Traditional Name: 2-[(3-cetyloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-1-phenyl-ethanone Formula: C30H44N4O2S MolecularWeight: 524.76096

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C30H44N4O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-36-30-28-27(33-34(30)2)29(32-24-31-28)37-23-26(35)25-20-17-16-18-21-25/h16-18,20-21,24H,3-15,19,22-23H2,1-2H3