(3-bromophenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate

Systemtic Name: (3-bromophenyl)methyl 4-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-4-oxidanylidene-butanoate Openeye Name: (3-bromophenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-4-oxo-butanoate CAS Name: 4-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-4-oxobutanoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 4-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-4-oxobutanoate Traditional Name: 4-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-4-keto-butyric acid (3-bromobenzyl) ester Formula: C24H33BrN4O5 MolecularWeight: 537.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC(=CC=C2)Br

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CCC(=O)OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C24H33BrN4O5/c1-3-5-7-14-28(21-22(26)29(13-6-4-2)24(33)27-23(21)32)19(30)11-12-20(31)34-16-17-9-8-10-18(25)15-17/h8-10,15H,3-7,11-14,16,26H2,1-2H3,(H,27,32,33)