ethyl 2-(2-methyl-3-undec-10-enoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(2-methyl-3-undec-10-enoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(2-methyl-3-undec-10-enoxy-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(2-methyl-3-undec-10-enoxy-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-methyl-3-undec-10-enoxypyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(2-methyl-3-undec-10-enoxy-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C21H32N4O3S MolecularWeight: 420.56878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C)OCCCCCCCCCC=C

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C)OCCCCCCCCCC=C

InChI

InChI=1S/C21H32N4O3S/c1-4-6-7-8-9-10-11-12-13-14-28-21-19-18(24-25(21)3)20(23-16-22-19)29-15-17(26)27-5-2/h4,16H,1,5-15H2,2-3H3