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

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3,4,5-trimethoxy-2-nitro-benzamide Formula: C22H31N5O8 MolecularWeight: 493.51024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N5O8/c1-7-8-9-25(16-19(23)26(11-12(2)3)22(30)24-20(16)28)21(29)13-10-14(33-4)17(34-5)18(35-6)15(13)27(31)32/h10,12H,7-9,11,23H2,1-6H3,(H,24,28,30)