methyl 3-[6-(furan-2-ylmethylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[6-(furan-2-ylmethylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(2-furylmethylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(2-furanylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(furan-2-ylmethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(2-furfurylamino)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H23N3O6/c1-29-20(27)14-8-9-16-17(12-14)23-21(28)24(19(16)26)10-4-2-3-7-18(25)22-13-15-6-5-11-30-15/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,22,25)(H,23,28)