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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-methyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methyl-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-methyl-3-nitro-benzamide Formula: C20H27N5O5 MolecularWeight: 417.45888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O5/c1-4-6-11-23(19(27)14-9-8-10-15(13(14)3)25(29)30)16-17(21)24(12-7-5-2)20(28)22-18(16)26/h8-10H,4-7,11-12,21H2,1-3H3,(H,22,26,28)