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

Systemtic Name: 6-[2-azanyl-5-(1,3-benzodioxol-5-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-5-propyl-cyclohexa-2,4-dien-1-one Openeye Name: 6-[2-amino-5-(1,3-benzodioxol-5-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-5-propyl-cyclohexa-2,4-dien-1-one CAS Name: 6-[2-amino-5-(1,3-benzodioxol-5-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-5-propyl-1-cyclohexa-2,4-dienone IUPAC Name: 6-[2-amino-5-(1,3-benzodioxol-5-yl)-6-methyl-1H-pyrimidin-4-ylidene]-3-methoxy-5-propylcyclohexa-2,4-dien-1-one Traditional Name: 6-[2-amino-5-(1,3-benzodioxol-5-yl)-6-methyl-1H-pyrimidin-4-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(=C(NC(=N2)N)C)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCCC1=CC(=CC(=O)C1=C2C(=C(NC(=N2)N)C)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H23N3O4/c1-4-5-13-8-15(27-3)10-16(26)20(13)21-19(12(2)24-22(23)25-21)14-6-7-17-18(9-14)29-11-28-17/h6-10H,4-5,11H2,1-3H3,(H3,23,24,25)