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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-(cyclopropylamino)-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-(cyclopropylamino)-N-isobutyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-(cyclopropylamino)-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(cyclopropylamino)-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-(cyclopropylamino)-N-isobutyl-3-nitro-benzamide Formula: C22H30N6O5 MolecularWeight: 458.5108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])N

InChI

InChI=1S/C22H30N6O5/c1-4-5-10-26-19(23)18(20(29)25-22(26)31)27(12-13(2)3)21(30)14-6-9-16(24-15-7-8-15)17(11-14)28(32)33/h6,9,11,13,15,24H,4-5,7-8,10,12,23H2,1-3H3,(H,25,29,31)