methyl 5-[[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C22H21ClN4O4S MolecularWeight: 472.94454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C22H21ClN4O4S/c1-14-17(23)12-26(25-14)10-5-11-27-20(28)16-6-3-4-7-18(16)24-22(27)32-13-15-8-9-19(31-15)21(29)30-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3