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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(methylamino)-N-(2-methylpropyl)-5-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-2-(methylamino)-5-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(methylamino)-N-(2-methylpropyl)-5-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(methylamino)-N-(2-methylpropyl)-5-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-2-(methylamino)-5-nitro-benzamide Formula: C20H28N6O5 MolecularWeight: 432.47352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N6O5/c1-5-6-9-24-17(21)16(18(27)23-20(24)29)25(11-12(2)3)19(28)14-10-13(26(30)31)7-8-15(14)22-4/h7-8,10,12,22H,5-6,9,11,21H2,1-4H3,(H,23,27,29)