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

Systemtic Name: (E)-N-[6-azanyl-2,4-bis(oxidanylidene)-1-(3-oxidanylpropyl)-3-prop-2-ynyl-pyrimidin-5-yl]-3-(3-bromophenyl)prop-2-enamide Openeye Name: (E)-N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-prop-2-ynyl-pyrimidin-5-yl]-3-(3-bromophenyl)prop-2-enamide CAS Name: (E)-N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-prop-2-ynyl-5-pyrimidinyl]-3-(3-bromophenyl)-2-propenamide IUPAC Name: (E)-N-[6-amino-1-(3-hydroxypropyl)-2,4-dioxo-3-prop-2-ynylpyrimidin-5-yl]-3-(3-bromophenyl)prop-2-enamide Traditional Name: (E)-N-[6-amino-1-(3-hydroxypropyl)-2,4-diketo-3-propargyl-pyrimidin-5-yl]-3-(3-bromophenyl)acrylamide Formula: C19H19BrN4O4 MolecularWeight: 447.28256

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=O)C(=C(N(C1=O)CCCO)N)NC(=O)C=CC2=CC(=CC=C2)Br

Isomeric SMILES

C#CCN1C(=O)C(=C(N(C1=O)CCCO)N)NC(=O)/C=C/C2=CC(=CC=C2)Br

InChI

InChI=1S/C19H19BrN4O4/c1-2-9-24-18(27)16(17(21)23(19(24)28)10-4-11-25)22-15(26)8-7-13-5-3-6-14(20)12-13/h1,3,5-8,12,25H,4,9-11,21H2,(H,22,26)/b8-7+