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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(furan-2-ylmethyl)-2-(4-nitrophenyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-(2-furylmethyl)-2-(4-nitrophenyl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-furanylmethyl)-2-(4-nitrophenyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(4-nitrophenyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-(2-furfuryl)-2-(4-nitrophenyl)acetamide Formula: C21H23N5O6 MolecularWeight: 441.43722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C21H23N5O6/c1-2-3-10-24-19(22)18(20(28)23-21(24)29)25(13-16-5-4-11-32-16)17(27)12-14-6-8-15(9-7-14)26(30)31/h4-9,11H,2-3,10,12-13,22H2,1H3,(H,23,28,29)