N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCCOC

InChI

InChI=1S/C25H27N5O3S/c1-17-23(18(2)30(28-17)19-10-5-4-6-11-19)27-22(31)16-34-25-26-21-13-8-7-12-20(21)24(32)29(25)14-9-15-33-3/h4-8,10-13H,9,14-16H2,1-3H3,(H,27,31)