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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-2-(3-nitrophenoxy)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-furylmethyl)-2-(3-nitrophenoxy)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-furanylmethyl)-2-(3-nitrophenoxy)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(3-nitrophenoxy)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-furfuryl)-2-(3-nitrophenoxy)acetamide Formula: C21H23N5O7 MolecularWeight: 457.43662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)COC3=CC=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H23N5O7/c1-2-3-9-24-19(22)18(20(28)23-21(24)29)25(12-16-8-5-10-32-16)17(27)13-33-15-7-4-6-14(11-15)26(30)31/h4-8,10-11H,2-3,9,12-13,22H2,1H3,(H,23,28,29)