2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoic acid Openeye Name: 2-(3-hexadecoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetic acid CAS Name: 2-[(3-hexadecoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(3-hexadecoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetic acid Traditional Name: 2-[(3-cetyloxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid Formula: C24H40N4O3S MolecularWeight: 464.6644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H40N4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-31-24-22-21(27-28(24)2)23(26-19-25-22)32-18-20(29)30/h19H,3-18H2,1-2H3,(H,29,30)