N-butyl-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-butyl-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-butyl-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-butyl-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]butanamide IUPAC Name: N-butyl-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylbutanamide Traditional Name: N-butyl-2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]butyramide Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC2=CC=CC=C2C(=O)N1CC3CCCO3

InChI

InChI=1S/C21H29N3O3S/c1-3-5-12-22-19(25)18(4-2)28-21-23-17-11-7-6-10-16(17)20(26)24(21)14-15-9-8-13-27-15/h6-7,10-11,15,18H,3-5,8-9,12-14H2,1-2H3,(H,22,25)