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

Systemtic Name: methyl 2,4-bis(oxidanylidene)-3-[6-oxidanylidene-6-(prop-2-enylamino)hexyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(allylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 2,4-dioxo-3-[6-oxo-6-(prop-2-enylamino)hexyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dioxo-3-[6-oxo-6-(prop-2-enylamino)hexyl]-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(allylamino)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H23N3O5 MolecularWeight: 373.40302

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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)NCC=C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NCC=C

InChI

InChI=1S/C19H23N3O5/c1-3-10-20-16(23)7-5-4-6-11-22-17(24)14-9-8-13(18(25)27-2)12-15(14)21-19(22)26/h3,8-9,12H,1,4-7,10-11H2,2H3,(H,20,23)(H,21,26)