ethyl 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3C(=C(C(=N3)C)Cl)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCN3C(=C(C(=N3)C)Cl)C

InChI

InChI=1S/C20H23ClN4O3S/c1-4-28-17(26)12-29-20-22-16-9-6-5-8-15(16)19(27)24(20)10-7-11-25-14(3)18(21)13(2)23-25/h5-6,8-9H,4,7,10-12H2,1-3H3