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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])N

InChI

InChI=1S/C21H29N5O6/c1-4-5-10-25-19(22)18(20(28)23-21(25)29)24(11-9-14(2)3)17(27)13-32-16-8-6-7-15(12-16)26(30)31/h6-8,12,14H,4-5,9-11,13,22H2,1-3H3,(H,23,28,29)