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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-4-(azepan-1-yl)-N-butyl-3-nitro-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-4-(azepan-1-yl)-N-butyl-3-nitro-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-4-(1-azepanyl)-N-butyl-3-nitrobenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-(azepan-1-yl)-N-butyl-3-nitrobenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-4-(azepan-1-yl)-N-butyl-3-nitro-benzamide Formula: C24H34N6O5 MolecularWeight: 486.56396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H34N6O5/c1-3-5-15-28(20-21(25)29(12-4-2)24(33)26-22(20)31)23(32)17-10-11-18(19(16-17)30(34)35)27-13-8-6-7-9-14-27/h10-11,16H,3-9,12-15,25H2,1-2H3,(H,26,31,33)