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

Systemtic Name: 6-[2-azanyl-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-phenylmethoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-benzyloxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-phenylmethoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-phenylmethoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(3,4-dimethoxyphenyl)-1H-pyrimidin-6-ylidene]-3-benzoxy-cyclohexa-2,4-dien-1-one Formula: C25H23N3O4 MolecularWeight: 429.46782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN=C(NC2=C3C=CC(=CC3=O)OCC4=CC=CC=C4)N)OC

InChI

InChI=1S/C25H23N3O4/c1-30-22-11-8-17(12-23(22)31-2)20-14-27-25(26)28-24(20)19-10-9-18(13-21(19)29)32-15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H3,26,27,28)