N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(3-bromanylphenoxy)-N-butyl-butanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(3-bromanylphenoxy)-N-butyl-butanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(3-bromophenoxy)-N-butyl-butanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(3-bromophenoxy)-N-butylbutanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3-bromophenoxy)-N-butylbutanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(3-bromophenoxy)-N-butyl-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(CCCC)C(=O)CCCOC2=CC(=CC=C2)Br)N

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN4O4/c1-3-5-12-26(18(28)11-8-14-31-17-10-7-9-16(23)15-17)19-20(24)27(13-6-4-2)22(30)25-21(19)29/h7,9-10,15H,3-6,8,11-14,24H2,1-2H3,(H,25,29,30)