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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-(methylamino)-5-nitro-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(methylamino)-5-nitro-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(methylamino)-5-nitrobenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-(methylamino)-5-nitrobenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-(methylamino)-5-nitro-benzamide Formula: C19H26N6O5 MolecularWeight: 418.44694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC

InChI

InChI=1S/C19H26N6O5/c1-4-6-10-23(15-16(20)24(9-5-2)19(28)22-17(15)26)18(27)13-11-12(25(29)30)7-8-14(13)21-3/h7-8,11,21H,4-6,9-10,20H2,1-3H3,(H,22,26,28)