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

Systemtic Name: methyl 3-[6-(2-acetamidoethylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(2-acetamidoethylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(2-acetamidoethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(2-acetamidoethylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(2-acetamidoethylamino)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H26N4O6 MolecularWeight: 418.44364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O

Isomeric SMILES

CC(=O)NCCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O

InChI

InChI=1S/C20H26N4O6/c1-13(25)21-9-10-22-17(26)6-4-3-5-11-24-18(27)15-8-7-14(19(28)30-2)12-16(15)23-20(24)29/h7-8,12H,3-6,9-11H2,1-2H3,(H,21,25)(H,22,26)(H,23,29)