4-[5-bromanyl-1-[6-(furan-2-yl)-4-(furan-2-ylmethylamino)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-bromanyl-1-[6-(furan-2-yl)-4-(furan-2-ylmethylamino)quinazolin-2-yl]indol-3-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-bromo-1-[6-(2-furyl)-4-(2-furylmethylamino)quinazolin-2-yl]indol-3-yl]-4-oxo-butanoic acid CAS Name: 4-[5-bromo-1-[6-(2-furanyl)-4-(2-furanylmethylamino)-2-quinazolinyl]-3-indolyl]-4-oxobutanoic acid IUPAC Name: 4-[5-bromo-1-[6-(furan-2-yl)-4-(furan-2-ylmethylamino)quinazolin-2-yl]indol-3-yl]-4-oxobutanoic acid Traditional Name: 4-[5-bromo-1-[4-(2-furfurylamino)-6-(2-furyl)quinazolin-2-yl]indol-3-yl]-4-keto-butyric acid Formula: C29H21BrN4O5 MolecularWeight: 585.40484

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)CNC2=NC(=NC3=C2C=C(C=C3)C4=CC=CO4)N5C=C(C6=C5C=CC(=C6)Br)C(=O)CCC(=O)O

InChI

InChI=1S/C29H21BrN4O5/c30-18-6-8-24-20(14-18)22(25(35)9-10-27(36)37)16-34(24)29-32-23-7-5-17(26-4-2-12-39-26)13-21(23)28(33-29)31-15-19-3-1-11-38-19/h1-8,11-14,16H,9-10,15H2,(H,36,37)(H,31,32,33)