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

Systemtic Name: methyl 3-[6-(cyclohexylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(cyclohexylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(cyclohexylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(cyclohexylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(cyclohexylamino)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H29N3O5 MolecularWeight: 415.48276

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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)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=O)N2)CCCCCC(=O)NC3CCCCC3

InChI

InChI=1S/C22H29N3O5/c1-30-21(28)15-11-12-17-18(14-15)24-22(29)25(20(17)27)13-7-3-6-10-19(26)23-16-8-4-2-5-9-16/h11-12,14,16H,2-10,13H2,1H3,(H,23,26)(H,24,29)