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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-nitro-benzamide Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O5/c1-3-5-10-22(18(26)13-8-7-9-14(12-13)24(28)29)15-16(20)23(11-6-4-2)19(27)21-17(15)25/h7-9,12H,3-6,10-11,20H2,1-2H3,(H,21,25,27)