2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-[3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-1-pyrazolyl)propyl]-4-oxo-2-quinazolinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-[3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)propyl]-4-keto-quinazolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C24H30ClN5O2S MolecularWeight: 488.0453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCC4)C)Cl

Isomeric SMILES

CC1=C(C(=NN1CCCN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CCCCC4)C)Cl

InChI

InChI=1S/C24H30ClN5O2S/c1-16-22(25)17(2)30(28-16)14-8-13-29-23(32)19-11-6-7-12-20(19)27-24(29)33-15-21(31)26-18-9-4-3-5-10-18/h6-7,11-12,18H,3-5,8-10,13-15H2,1-2H3,(H,26,31)