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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N,3-dimethyl-4-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N,3-dimethyl-4-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N,3-dimethyl-4-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3-dimethyl-4-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N,3-dimethyl-4-nitro-benzamide Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c1-4-5-8-21-14(18)13(15(23)19-17(21)25)20(3)16(24)11-6-7-12(22(26)27)10(2)9-11/h6-7,9H,4-5,8,18H2,1-3H3,(H,19,23,25)