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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-methyl-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-4-methyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-4-methyl-3-nitro-benzamide Formula: C20H27N5O5 MolecularWeight: 417.45888

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)C)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5/c1-5-6-9-23-17(21)16(18(26)22-20(23)28)24(11-12(2)3)19(27)14-8-7-13(4)15(10-14)25(29)30/h7-8,10,12H,5-6,9,11,21H2,1-4H3,(H,22,26,28)