N-(furan-2-ylmethyl)-2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[6-morpholin-4-yl-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-butanamide Openeye Name: 2-(3-benzyl-6-morpholino-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-furylmethyl)butanamide CAS Name: N-(2-furanylmethyl)-2-[[6-(4-morpholinyl)-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]butanamide IUPAC Name: 2-(3-benzyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)butanamide Traditional Name: 2-[(3-benzyl-4-keto-6-morpholino-quinazolin-2-yl)thio]-N-(2-furfuryl)butyramide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O4S/c1-2-25(26(33)29-18-22-9-6-14-36-22)37-28-30-24-11-10-21(31-12-15-35-16-13-31)17-23(24)27(34)32(28)19-20-7-4-3-5-8-20/h3-11,14,17,25H,2,12-13,15-16,18-19H2,1H3,(H,29,33)