(6Z)-6-[2-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-4-ethyl-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[2-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-4-ethyl-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-4-ethyl-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-4-ethyl-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-4-ethylcyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-3-ethoxy-4-ethyl-cyclohexa-2,4-dien-1-one Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C2C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCO4)C(=O)C=C1OCC

Isomeric SMILES

CCC1=C/C(=C/2\C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCO4)/C(=O)C=C1OCC

InChI

InChI=1S/C22H23N3O4/c1-3-13-9-15(17(26)11-19(13)27-4-2)21-16(12-24-22(23)25-21)14-5-6-18-20(10-14)29-8-7-28-18/h5-6,9-12H,3-4,7-8H2,1-2H3,(H3,23,24,25)/b21-15-