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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-chloranyl-N-(2-methoxyethyl)-2-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-5-chloro-N-(2-methoxyethyl)-2-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-chloro-N-(2-methoxyethyl)-2-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-chloro-N-(2-methoxyethyl)-2-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-5-chloro-N-(2-methoxyethyl)-2-nitro-benzamide Formula: C18H22ClN5O6 MolecularWeight: 439.85018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN5O6/c1-3-4-7-23-15(20)14(16(25)21-18(23)27)22(8-9-30-2)17(26)12-10-11(19)5-6-13(12)24(28)29/h5-6,10H,3-4,7-9,20H2,1-2H3,(H,21,25,27)