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

Systemtic Name: methyl 2-[[3-[3-(4-chloranyl-3-methyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 2-[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 2-[[[3-[3-(4-chloro-3-methyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 2-[[[3-[3-(4-chloro-3-methyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C21H21ClN6O3S MolecularWeight: 472.94784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C(=CC=N4)C(=O)OC

Isomeric SMILES

CC1=NN(C=C1Cl)CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C(=CC=N4)C(=O)OC

InChI

InChI=1S/C21H21ClN6O3S/c1-14-16(22)12-26(25-14)10-5-11-27-19(29)15-6-3-4-7-17(15)24-21(27)32-13-28-18(8-9-23-28)20(30)31-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3