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

Systemtic Name: (6Z)-3-ethoxy-6-[4-(3-oxidanylpropylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-3-ethoxy-6-[4-(3-hydroxypropylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6Z)-3-ethoxy-6-[4-(3-hydroxypropylamino)-2-phenyl-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-3-ethoxy-6-[4-(3-hydroxypropylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6Z)-3-ethoxy-6-[4-(3-hydroxypropylamino)-2-phenyl-1H-pyrimidin-6-ylidene]cyclohexa-2,4-dien-1-one Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3/c1-2-27-16-9-10-17(19(26)13-16)18-14-20(22-11-6-12-25)24-21(23-18)15-7-4-3-5-8-15/h3-5,7-10,13-14,22,25H,2,6,11-12H2,1H3,(H,23,24)/b18-17-