ethyl 2-(3-dodecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate

Systemtic Name: ethyl 2-(3-dodecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-(3-dodecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate CAS Name: 2-[(3-dodecoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(3-dodecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(3-lauryloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C24H40N4O3S MolecularWeight: 464.6644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SC(C)(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=NN1C)C(=NC=N2)SC(C)(C)C(=O)OCC

InChI

InChI=1S/C24H40N4O3S/c1-6-8-9-10-11-12-13-14-15-16-17-31-22-20-19(27-28(22)5)21(26-18-25-20)32-24(3,4)23(29)30-7-2/h18H,6-17H2,1-5H3