2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-furylmethyl)butanamide CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-4-oxo-2-quinazolinyl]thio]-N-(2-furanylmethyl)butanamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-4-oxoquinazolin-2-yl]sulfanyl-N-(furan-2-ylmethyl)butanamide Traditional Name: N-(2-furfuryl)-2-[(4-keto-6-morpholino-3-piperonyl-quinazolin-2-yl)thio]butyramide Formula: C29H30N4O6S MolecularWeight: 562.6367

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=C(C=C(C=C3)N4CCOCC4)C(=O)N2CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H30N4O6S/c1-2-26(27(34)30-16-21-4-3-11-37-21)40-29-31-23-7-6-20(32-9-12-36-13-10-32)15-22(23)28(35)33(29)17-19-5-8-24-25(14-19)39-18-38-24/h3-8,11,14-15,26H,2,9-10,12-13,16-18H2,1H3,(H,30,34)