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

Systemtic Name: (6E)-6-[2-azanyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrimidin-6-ylidene]-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrimidin-6-ylidene]-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrimidin-6-ylidene]-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCCO4)C=C1

Isomeric SMILES

COC1=CC(=O)/C(=C/2\C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCCO4)/C=C1

InChI

InChI=1S/C20H19N3O4/c1-25-13-4-5-14(16(24)10-13)19-15(11-22-20(21)23-19)12-3-6-17-18(9-12)27-8-2-7-26-17/h3-6,9-11H,2,7-8H2,1H3,(H3,21,22,23)/b19-14+