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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-chloranyl-N-ethyl-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-chloro-N-ethyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-chloro-N-ethyl-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-N-ethyl-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-4-chloro-N-ethyl-3-nitro-benzamide Formula: C17H20ClN5O5 MolecularWeight: 409.8242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN5O5/c1-3-5-8-22-14(19)13(15(24)20-17(22)26)21(4-2)16(25)10-6-7-11(18)12(9-10)23(27)28/h6-7,9H,3-5,8,19H2,1-2H3,(H,20,24,26)