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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-chloranyl-3-nitro-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-chloro-3-nitro-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-chloro-3-nitrobenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chloro-3-nitrobenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-chloro-3-nitro-benzamide Formula: C18H22ClN5O5 MolecularWeight: 423.85078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H22ClN5O5/c1-3-5-9-22(14-15(20)23(8-4-2)18(27)21-16(14)25)17(26)11-6-7-12(19)13(10-11)24(28)29/h6-7,10H,3-5,8-9,20H2,1-2H3,(H,21,25,27)