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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-2-morpholino-5-nitro-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-2-morpholino-5-nitro-benzamide Formula: C22H30N6O6 MolecularWeight: 474.5102

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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-])N3CCOCC3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C22H30N6O6/c1-3-5-9-26(18-19(23)27(8-4-2)22(31)24-20(18)29)21(30)16-14-15(28(32)33)6-7-17(16)25-10-12-34-13-11-25/h6-7,14H,3-5,8-13,23H2,1-2H3,(H,24,29,31)