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

Systemtic Name: (E)-N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butyl-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-3-(3-nitrophenyl)acrylamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O5/c1-3-5-12-24(17(27)11-10-15-8-7-9-16(14-15)26(30)31)18-19(22)25(13-6-4-2)21(29)23-20(18)28/h7-11,14H,3-6,12-13,22H2,1-2H3,(H,23,28,29)/b11-10+