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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-chloranyl-N-(2-methylpropyl)-5-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-chloro-N-isobutyl-5-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-chloro-N-(2-methylpropyl)-5-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(2-methylpropyl)-5-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-chloro-N-isobutyl-5-nitro-benzamide Formula: C19H24ClN5O5 MolecularWeight: 437.87736

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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-])Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN5O5/c1-4-5-8-23-16(21)15(17(26)22-19(23)28)24(10-11(2)3)18(27)13-9-12(25(29)30)6-7-14(13)20/h6-7,9,11H,4-5,8,10,21H2,1-3H3,(H,22,26,28)