N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-nitroimidazol-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-nitroimidazol-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-(4-nitroimidazol-1-yl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-nitro-1-imidazolyl)-N-(phenylmethyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-nitroimidazol-1-yl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-(4-nitroimidazol-1-yl)acetamide Formula: C20H23N7O5 MolecularWeight: 441.44052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CN3C=C(N=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)CN3C=C(N=C3)[N+](=O)[O-])N

InChI

InChI=1S/C20H23N7O5/c1-2-3-9-25-18(21)17(19(29)23-20(25)30)26(10-14-7-5-4-6-8-14)16(28)12-24-11-15(22-13-24)27(31)32/h4-8,11,13H,2-3,9-10,12,21H2,1H3,(H,23,29,30)