N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(4-bromanylphenoxy)-N-(2-methylpropyl)butanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(4-bromanylphenoxy)-N-(2-methylpropyl)butanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(4-bromophenoxy)-N-isobutyl-butanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(4-bromophenoxy)-N-(2-methylpropyl)butanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(4-bromophenoxy)-N-(2-methylpropyl)butanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(4-bromophenoxy)-N-isobutyl-butyramide Formula: C22H31BrN4O4 MolecularWeight: 495.40994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCCOC2=CC=C(C=C2)Br)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)CCCOC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C22H31BrN4O4/c1-4-5-12-26-20(24)19(21(29)25-22(26)30)27(14-15(2)3)18(28)7-6-13-31-17-10-8-16(23)9-11-17/h8-11,15H,4-7,12-14,24H2,1-3H3,(H,25,29,30)