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

Systemtic Name: 2-[3-[4-(furan-2-ylmethylamino)-4-oxidanylidene-butyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Openeye Name: 2-[3-[4-(2-furylmethylamino)-4-oxo-butyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-pyridylmethyl)butanamide CAS Name: 2-[[3-[4-(2-furanylmethylamino)-4-oxobutyl]-4-oxo-2-quinazolinyl]thio]-N-(3-pyridinylmethyl)butanamide IUPAC Name: 2-[3-[4-(furan-2-ylmethylamino)-4-oxobutyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-3-ylmethyl)butanamide Traditional Name: 2-[[3-[4-(2-furfurylamino)-4-keto-butyl]-4-keto-quinazolin-2-yl]thio]-N-(3-pyridylmethyl)butyramide Formula: C27H29N5O4S MolecularWeight: 519.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H29N5O4S/c1-2-23(25(34)30-17-19-8-5-13-28-16-19)37-27-31-22-11-4-3-10-21(22)26(35)32(27)14-6-12-24(33)29-18-20-9-7-15-36-20/h3-5,7-11,13,15-16,23H,2,6,12,14,17-18H2,1H3,(H,29,33)(H,30,34)