N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-bromanyl-3-nitro-N-propyl-benzamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-bromanyl-3-nitro-N-propyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-bromo-3-nitro-N-propyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-bromo-3-nitro-N-propylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-bromo-3-nitro-N-propylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-bromo-3-nitro-N-propyl-benzamide Formula: C18H22BrN5O5 MolecularWeight: 468.30178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC)C(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-])N

InChI

InChI=1S/C18H22BrN5O5/c1-3-5-9-23-15(20)14(16(25)21-18(23)27)22(8-4-2)17(26)11-6-7-12(19)13(10-11)24(28)29/h6-7,10H,3-5,8-9,20H2,1-2H3,(H,21,25,27)