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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-chloranyl-5-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-chloro-5-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-2-chloro-5-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-chloro-5-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-chloro-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(CCCC)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN5O5/c1-3-5-9-23(18(27)13-11-12(25(29)30)7-8-14(13)20)15-16(21)24(10-6-4-2)19(28)22-17(15)26/h7-8,11H,3-6,9-10,21H2,1-2H3,(H,22,26,28)