methyl 2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C18H19ClN4O3S MolecularWeight: 406.88646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC

InChI

InChI=1S/C18H19ClN4O3S/c1-12-14(19)10-22(21-12)8-5-9-23-17(25)13-6-3-4-7-15(13)20-18(23)27-11-16(24)26-2/h3-4,6-7,10H,5,8-9,11H2,1-2H3