4-[4-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropylamino)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[4-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropylamino)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropylamino)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-(3,4-dimethoxyphenyl)-2-[3-(1-imidazolyl)propylamino]-1H-pyrimidin-6-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropylamino)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(3,4-dimethoxyphenyl)-2-(3-imidazol-1-ylpropylamino)-1H-pyrimidin-6-ylidene]cyclohexa-2,5-dien-1-one Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=N2)NCCCN4C=CN=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=C3C=CC(=O)C=C3)NC(=N2)NCCCN4C=CN=C4)OC

InChI

InChI=1S/C24H25N5O3/c1-31-22-9-6-18(14-23(22)32-2)21-15-20(17-4-7-19(30)8-5-17)27-24(28-21)26-10-3-12-29-13-11-25-16-29/h4-9,11,13-16H,3,10,12H2,1-2H3,(H2,26,27,28)