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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-4-ethoxy-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-4-ethoxy-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-ethoxy-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-4-ethoxy-3-nitro-benzamide Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O6/c1-4-7-11-24(17-18(22)25(12-8-5-2)21(29)23-19(17)27)20(28)14-9-10-16(32-6-3)15(13-14)26(30)31/h9-10,13H,4-8,11-12,22H2,1-3H3,(H,23,27,29)