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

Systemtic Name: methyl 3-[6-(3-methylbutylamino)-6-oxidanylidene-hexyl]-2,4-bis(oxidanylidene)-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[6-(isopentylamino)-6-oxo-hexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[6-(3-methylbutylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[6-(3-methylbutylamino)-6-oxohexyl]-2,4-dioxo-1H-quinazoline-7-carboxylate Traditional Name: 3-[6-(isoamylamino)-6-keto-hexyl]-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5/c1-14(2)10-11-22-18(25)7-5-4-6-12-24-19(26)16-9-8-15(20(27)29-3)13-17(16)23-21(24)28/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,22,25)(H,23,28)