N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C22H29N5O2S MolecularWeight: 427.56296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C

InChI

InChI=1S/C22H29N5O2S/c1-15(2)13-26-21(29)18-8-5-6-9-19(18)24-22(26)30-14-20(28)23-10-7-11-27-17(4)12-16(3)25-27/h5-6,8-9,12,15H,7,10-11,13-14H2,1-4H3,(H,23,28)