N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-1-(2-nitrophenyl)isonipecotamide Formula: C21H28N6O5 MolecularWeight: 444.48422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])N

InChI

InChI=1S/C21H28N6O5/c1-3-4-11-26-18(22)17(19(28)23-21(26)30)24(2)20(29)14-9-12-25(13-10-14)15-7-5-6-8-16(15)27(31)32/h5-8,14H,3-4,9-13,22H2,1-2H3,(H,23,28,30)