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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(3-nitrophenoxy)-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(3-nitrophenoxy)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(3-nitrophenoxy)-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-nitrophenoxy)-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(3-nitrophenoxy)acetamide Formula: C21H29N5O6 MolecularWeight: 447.48486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O6/c1-3-5-7-12-24(17(27)14-32-16-10-8-9-15(13-16)26(30)31)18-19(22)25(11-6-4-2)21(29)23-20(18)28/h8-10,13H,3-7,11-12,14,22H2,1-2H3,(H,23,28,29)