(6Z)-3-ethoxy-6-[4-(4-oxidanylbutylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-3-ethoxy-6-[4-(4-oxidanylbutylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-ethoxy-6-[4-(4-hydroxybutylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-3-ethoxy-6-[4-(4-hydroxybutylamino)-2-phenyl-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-3-ethoxy-6-[4-(4-hydroxybutylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-ethoxy-6-[4-(4-hydroxybutylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C=C(N=C(N2)C3=CC=CC=C3)NCCCCO)C=C1

Isomeric SMILES

CCOC1=CC(=O)/C(=C\2/C=C(N=C(N2)C3=CC=CC=C3)NCCCCO)/C=C1

InChI

InChI=1S/C22H25N3O3/c1-2-28-17-10-11-18(20(27)14-17)19-15-21(23-12-6-7-13-26)25-22(24-19)16-8-4-3-5-9-16/h3-5,8-11,14-15,23,26H,2,6-7,12-13H2,1H3,(H,24,25)/b19-18-