(6Z)-6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6Z)-6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one CAS Name: (6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-ethoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-ethoxycyclohexa-2,4-dien-1-one Traditional Name: (6Z)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-ethoxy-cyclohexa-2,4-dien-1-one Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=O)C(=C2C(=C(NC(=N2)N)C)C3=CC4=C(C=C3)OCCCO4)C=C1

Isomeric SMILES

CCOC1=CC(=O)/C(=C\2/C(=C(NC(=N2)N)C)C3=CC4=C(C=C3)OCCCO4)/C=C1

InChI

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