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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN4O4/c1-3-5-13-26(18(28)8-7-15-31-17-11-9-16(23)10-12-17)19-20(24)27(14-6-4-2)22(30)25-21(19)29/h9-12H,3-8,13-15,24H2,1-2H3,(H,25,29,30)