(E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-methyl-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-methyl-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-methyl-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-methyl-3-(3-nitrophenyl)acrylamide Formula: C18H21N5O5 MolecularWeight: 387.38984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O5/c1-3-4-10-22-16(19)15(17(25)20-18(22)26)21(2)14(24)9-8-12-6-5-7-13(11-12)23(27)28/h5-9,11H,3-4,10,19H2,1-2H3,(H,20,25,26)/b9-8+