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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-4-methyl-3-nitro-N-pentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-4-methyl-3-nitro-N-pentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-4-methyl-3-nitro-N-pentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-3-nitro-N-pentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-4-methyl-3-nitro-benzamide Formula: C21H29N5O5 MolecularWeight: 431.48546

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5/c1-4-6-8-12-24(20(28)15-10-9-14(3)16(13-15)26(30)31)17-18(22)25(11-7-5-2)21(29)23-19(17)27/h9-10,13H,4-8,11-12,22H2,1-3H3,(H,23,27,29)