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

Systemtic Name: ethyl 2-(3-dec-9-enoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylethanoate Openeye Name: ethyl 2-(3-dec-9-enoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate CAS Name: 2-[(3-dec-9-enoxy-2-phenyl-7-pyrazolo[4,3-d]pyrimidinyl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(3-dec-9-enoxy-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)sulfanylacetate Traditional Name: 2-[(3-dec-9-enoxy-2-phenyl-pyrazolo[4,3-d]pyrimidin-7-yl)thio]acetic acid ethyl ester Formula: C25H32N4O3S MolecularWeight: 468.61158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C3=CC=CC=C3)OCCCCCCCCC=C

Isomeric SMILES

CCOC(=O)CSC1=NC=NC2=C(N(N=C21)C3=CC=CC=C3)OCCCCCCCCC=C

InChI

InChI=1S/C25H32N4O3S/c1-3-5-6-7-8-9-10-14-17-32-25-23-22(28-29(25)20-15-12-11-13-16-20)24(27-19-26-23)33-18-21(30)31-4-2/h3,11-13,15-16,19H,1,4-10,14,17-18H2,2H3