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

Systemtic Name: ethyl 2-(3-dodecoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate Openeye Name: ethyl 2-(3-dodecoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methyl-propanoate CAS Name: 2-[(3-dodecoxy-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(3-dodecoxy-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanyl-2-methylpropanoate Traditional Name: 2-[(3-lauryloxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]-2-methyl-propionic acid ethyl ester Formula: C29H42N4O3S MolecularWeight: 526.73378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SC(C)(C)C(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCOC1=C2C(=NN1C3=CC=CC=C3)C(=NC=N2)SC(C)(C)C(=O)OCC

InChI

InChI=1S/C29H42N4O3S/c1-5-7-8-9-10-11-12-13-14-18-21-36-27-25-24(32-33(27)23-19-16-15-17-20-23)26(31-22-30-25)37-29(3,4)28(34)35-6-2/h15-17,19-20,22H,5-14,18,21H2,1-4H3