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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O5/c1-4-6-10-24-16(20)15(17(26)22-19(24)28)23(9-5-2)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)