N-(2,5-dimethylpyrazol-3-yl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,5-dimethyl-3-pyrazolyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,5-dimethylpyrazol-3-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,5-dimethylpyrazol-3-yl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C20H19N5O3S MolecularWeight: 409.46156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4)C

InChI

InChI=1S/C20H19N5O3S/c1-13-10-17(24(2)23-13)22-18(26)12-29-20-21-16-8-4-3-7-15(16)19(27)25(20)11-14-6-5-9-28-14/h3-10H,11-12H2,1-2H3,(H,22,26)