N-(5-chloranylpyridin-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(5-chloro-2-pyridyl)-2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(5-chloro-2-pyridinyl)-2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(5-chloropyridin-2-yl)-2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(5-chloro-2-pyridyl)-2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H17ClN4O3S MolecularWeight: 440.90268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC(C(=O)NC1=NC=C(C=C1)Cl)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H17ClN4O3S/c1-13(19(27)25-18-9-8-14(22)11-23-18)30-21-24-17-7-3-2-6-16(17)20(28)26(21)12-15-5-4-10-29-15/h2-11,13H,12H2,1H3,(H,23,25,27)