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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-chloranyl-N-methyl-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-chloro-N-methyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-chloro-N-methyl-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-methyl-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-chloro-N-methyl-3-nitro-benzamide Formula: C16H18ClN5O5 MolecularWeight: 395.79762

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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)Cl)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O5/c1-3-4-7-21-13(18)12(14(23)19-16(21)25)20(2)15(24)9-5-6-10(17)11(8-9)22(26)27/h5-6,8H,3-4,7,18H2,1-2H3,(H,19,23,25)