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

Systemtic Name: (6E)-6-[2-azanyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[2-amino-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrimidin-6-ylidene]-4-ethyl-3-methoxy-cyclohexa-2,4-dien-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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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=C1OC

Isomeric SMILES

CCC1=C/C(=C\2/C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCO4)/C(=O)C=C1OC

InChI

InChI=1S/C21H21N3O4/c1-3-12-8-14(16(25)10-18(12)26-2)20-15(11-23-21(22)24-20)13-4-5-17-19(9-13)28-7-6-27-17/h4-5,8-11H,3,6-7H2,1-2H3,(H3,22,23,24)/b20-14+