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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-chloranyl-3-nitro-N-pentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-chloro-3-nitro-N-pentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-chloro-3-nitro-N-pentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-chloro-3-nitro-N-pentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-4-chloro-3-nitro-benzamide Formula: C20H26ClN5O5 MolecularWeight: 451.90394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H26ClN5O5/c1-3-5-7-11-24(19(28)13-8-9-14(21)15(12-13)26(30)31)16-17(22)25(10-6-4-2)20(29)23-18(16)27/h8-9,12H,3-7,10-11,22H2,1-2H3,(H,23,27,29)