3,5-bis(chloranyl)-4-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3-phenylmethoxyphenyl)-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 3,5-bis(chloranyl)-4-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3-phenylmethoxyphenyl)-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-(3-benzyloxyphenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-1,3-dihydroimidazol-2-ylidene]-3,5-dichloro-cyclohexa-2,5-dien-1-one CAS Name: 3,5-dichloro-4-[4-[2-(2-methoxyethylamino)-4-pyrimidinyl]-5-(3-phenylmethoxyphenyl)-1,3-dihydroimidazol-2-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 3,5-dichloro-4-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]-5-(3-phenylmethoxyphenyl)-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[4-(3-benzoxyphenyl)-5-[2-(2-methoxyethylamino)pyrimidin-4-yl]-4-imidazolin-2-ylidene]-3,5-dichloro-cyclohexa-2,5-dien-1-one Formula: C29H25Cl2N5O3 MolecularWeight: 562.4465

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC=CC(=N1)C2=C(NC(=C3C(=CC(=O)C=C3Cl)Cl)N2)C4=CC(=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

COCCNC1=NC=CC(=N1)C2=C(NC(=C3C(=CC(=O)C=C3Cl)Cl)N2)C4=CC(=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H25Cl2N5O3/c1-38-13-12-33-29-32-11-10-24(34-29)27-26(35-28(36-27)25-22(30)15-20(37)16-23(25)31)19-8-5-9-21(14-19)39-17-18-6-3-2-4-7-18/h2-11,14-16,35-36H,12-13,17H2,1H3,(H,32,33,34)