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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=O)C1=C2C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

CCCC1=CC(=CC(=O)C1=C2C(=CN=C(N2)N)C3=CC4=C(C=C3)OCCO4)OC

InChI

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