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

Systemtic Name: (E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-3-(3-nitrophenyl)acrylamide Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5/c1-3-5-12-23(17-18(21)24(11-4-2)20(28)22-19(17)27)16(26)10-9-14-7-6-8-15(13-14)25(29)30/h6-10,13H,3-5,11-12,21H2,1-2H3,(H,22,27,28)/b10-9+