2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-N-(2-chloranyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-pentyl-amino]-N-(2-chloranyl-4-nitro-phenyl)ethanamide Openeye Name: 2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-pentyl-amino]-N-(2-chloro-4-nitro-phenyl)acetamide CAS Name: 2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-pentylamino]-N-(2-chloro-4-nitrophenyl)acetamide IUPAC Name: 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-pentylamino]-N-(2-chloro-4-nitrophenyl)acetamide Traditional Name: 2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-amyl-amino]-N-(2-chloro-4-nitro-phenyl)acetamide Formula: C21H29ClN6O5 MolecularWeight: 480.94516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=C(N(C(=O)NC2=O)CCCC)N

Isomeric SMILES

CCCCCN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)C2=C(N(C(=O)NC2=O)CCCC)N

InChI

InChI=1S/C21H29ClN6O5/c1-3-5-7-10-26(18-19(23)27(11-6-4-2)21(31)25-20(18)30)13-17(29)24-16-9-8-14(28(32)33)12-15(16)22/h8-9,12H,3-7,10-11,13,23H2,1-2H3,(H,24,29)(H,25,30,31)