ethyl 2-(3-dec-9-enoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate

Systemtic Name: ethyl 2-(3-dec-9-enoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-dec-9-enoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-dec-9-enoxy-2-methyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-dec-9-enoxy-2-methylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-dec-9-enoxy-2-methyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C20H30N4O3S MolecularWeight: 406.5422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N4O3S/c1-4-6-7-8-9-10-11-12-13-27-20-18-17(23-24(20)3)19(22-15-21-18)28-14-16(25)26-5-2/h4,15H,1,5-14H2,2-3H3