methyl 1-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate

Systemtic Name: methyl 1-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Openeye Name: methyl 1-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate CAS Name: 1-[[[3-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]methyl]-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]pyrazole-3-carboxylate Traditional Name: 1-[[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]methyl]pyrazole-3-carboxylic acid methyl ester Formula: C22H24N6O3S MolecularWeight: 452.52936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCN4C=CC(=N4)C(=O)OC)C

InChI

InChI=1S/C22H24N6O3S/c1-15-13-16(2)28(24-15)11-6-10-27-20(29)17-7-4-5-8-18(17)23-22(27)32-14-26-12-9-19(25-26)21(30)31-3/h4-5,7-9,12-13H,6,10-11,14H2,1-3H3