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

Systemtic Name: methyl 3-[6-(butylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(butylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(butylamino)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H27N3O5 MolecularWeight: 389.44548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O

Isomeric SMILES

CCCCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O

InChI

InChI=1S/C20H27N3O5/c1-3-4-11-21-17(24)8-6-5-7-12-23-18(25)15-10-9-14(19(26)28-2)13-16(15)22-20(23)27/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,24)(H,22,27)