N-[6-[(E)-4-chloranyl-3-oxidanylidene-but-1-enyl]-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]ethanamide

Systemtic Name: N-[6-[(E)-4-chloranyl-3-oxidanylidene-but-1-enyl]-4-oxidanylidene-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]ethanamide Openeye Name: N-[6-[(E)-4-chloro-3-oxo-but-1-enyl]-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide CAS Name: N-[6-[(E)-4-chloro-3-oxobut-1-enyl]-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide IUPAC Name: N-[6-[(E)-4-chloro-3-oxobut-1-enyl]-4-oxo-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide Traditional Name: N-[6-[(E)-4-chloro-3-keto-but-1-enyl]-4-keto-5-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C(=C(N1)C=CC(=O)CCl)CCCCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=NC(=O)C(=C(N1)/C=C/C(=O)CCl)CCCCC2=CC=CC=C2

InChI

InChI=1S/C20H22ClN3O3/c1-14(25)22-20-23-18(12-11-16(26)13-21)17(19(27)24-20)10-6-5-9-15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13H2,1H3,(H2,22,23,24,25,27)/b12-11+